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/test1-c6eeca96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1 curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1 curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1 curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1 curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1 curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1 curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1 curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1 curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1 curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1 curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.371117 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.371117 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.371117 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.371117 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.371117 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.371117 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.371117 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.371117 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.371117 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.371117 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -954.286657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.286657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.286657 (E_RNA) where: Base-Base interactions energy: -375.616 where: short stacking energy: -371.207 Base-Backbone interact. energy: -0.225 local terms energy: -578.444992 where: bonds (distance) C4'-P energy: -131.067 bonds (distance) P-C4' energy: -138.672 flat angles C4'-P-C4' energy: -127.089 flat angles P-C4'-P energy: -78.572 tors. eta vs tors. theta energy: -103.045 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -908.661853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.661853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.661853 (E_RNA) where: Base-Base interactions energy: -355.621 where: short stacking energy: -349.455 Base-Backbone interact. energy: -0.191 local terms energy: -552.849202 where: bonds (distance) C4'-P energy: -132.962 bonds (distance) P-C4' energy: -108.817 flat angles C4'-P-C4' energy: -126.873 flat angles P-C4'-P energy: -92.519 tors. eta vs tors. theta energy: -91.678 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -860.817454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.817454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.817454 (E_RNA) where: Base-Base interactions energy: -358.091 where: short stacking energy: -345.858 Base-Backbone interact. energy: 0.726 local terms energy: -503.453023 where: bonds (distance) C4'-P energy: -116.070 bonds (distance) P-C4' energy: -129.563 flat angles C4'-P-C4' energy: -113.315 flat angles P-C4'-P energy: -73.559 tors. eta vs tors. theta energy: -70.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -799.345223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.345223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.345223 (E_RNA) where: Base-Base interactions energy: -71.622 where: short stacking energy: -71.622 Base-Backbone interact. energy: -0.000 local terms energy: -727.722477 where: bonds (distance) C4'-P energy: -170.526 bonds (distance) P-C4' energy: -154.252 flat angles C4'-P-C4' energy: -146.588 flat angles P-C4'-P energy: -159.436 tors. eta vs tors. theta energy: -96.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -800.994195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.994195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.994195 (E_RNA) where: Base-Base interactions energy: -85.656 where: short stacking energy: -85.656 Base-Backbone interact. energy: -0.000 local terms energy: -715.337635 where: bonds (distance) C4'-P energy: -164.817 bonds (distance) P-C4' energy: -149.471 flat angles C4'-P-C4' energy: -148.390 flat angles P-C4'-P energy: -157.442 tors. eta vs tors. theta energy: -95.218 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: 2 Temperature: 1.150000 Total energy: -792.762574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.762574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.762574 (E_RNA) where: Base-Base interactions energy: -49.858 where: short stacking energy: -49.858 Base-Backbone interact. energy: -0.000 local terms energy: -742.904739 where: bonds (distance) C4'-P energy: -173.263 bonds (distance) P-C4' energy: -164.429 flat angles C4'-P-C4' energy: -148.082 flat angles P-C4'-P energy: -161.315 tors. eta vs tors. theta energy: -95.815 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -789.098627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.098627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.098627 (E_RNA) where: Base-Base interactions energy: -18.139 where: short stacking energy: -18.139 Base-Backbone interact. energy: -0.000 local terms energy: -770.959639 where: bonds (distance) C4'-P energy: -191.999 bonds (distance) P-C4' energy: -177.084 flat angles C4'-P-C4' energy: -145.242 flat angles P-C4'-P energy: -166.459 tors. eta vs tors. theta energy: -90.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -788.802612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.802612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.802612 (E_RNA) where: Base-Base interactions energy: -18.343 where: short stacking energy: -18.343 Base-Backbone interact. energy: -0.000 local terms energy: -770.459521 where: bonds (distance) C4'-P energy: -191.999 bonds (distance) P-C4' energy: -177.342 flat angles C4'-P-C4' energy: -144.874 flat angles P-C4'-P energy: -166.191 tors. eta vs tors. theta energy: -90.053 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -789.431955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.431955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.431955 (E_RNA) where: Base-Base interactions energy: -18.846 where: short stacking energy: -18.846 Base-Backbone interact. energy: -0.000 local terms energy: -770.585880 where: bonds (distance) C4'-P energy: -191.999 bonds (distance) P-C4' energy: -177.342 flat angles C4'-P-C4' energy: -144.874 flat angles P-C4'-P energy: -166.191 tors. eta vs tors. theta energy: -90.180 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: 2 Temperature: 1.350000 Total energy: -786.819420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.819420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.819420 (E_RNA) where: Base-Base interactions energy: -20.767 where: short stacking energy: -20.767 Base-Backbone interact. energy: -0.000 local terms energy: -766.051800 where: bonds (distance) C4'-P energy: -188.998 bonds (distance) P-C4' energy: -173.821 flat angles C4'-P-C4' energy: -146.197 flat angles P-C4'-P energy: -166.133 tors. eta vs tors. theta energy: -90.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -977.953771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.953771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.953771 (E_RNA) where: Base-Base interactions energy: -435.918 where: short stacking energy: -380.806 Base-Backbone interact. energy: -1.490 local terms energy: -540.546247 where: bonds (distance) C4'-P energy: -129.020 bonds (distance) P-C4' energy: -114.015 flat angles C4'-P-C4' energy: -123.762 flat angles P-C4'-P energy: -84.468 tors. eta vs tors. theta energy: -89.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -885.007838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.007838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.007838 (E_RNA) where: Base-Base interactions energy: -368.124 where: short stacking energy: -334.656 Base-Backbone interact. energy: 0.483 local terms energy: -517.365849 where: bonds (distance) C4'-P energy: -125.816 bonds (distance) P-C4' energy: -118.775 flat angles C4'-P-C4' energy: -127.051 flat angles P-C4'-P energy: -70.680 tors. eta vs tors. theta energy: -75.044 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -847.481287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.481287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.481287 (E_RNA) where: Base-Base interactions energy: -360.637 where: short stacking energy: -337.320 Base-Backbone interact. energy: -0.510 local terms energy: -486.334225 where: bonds (distance) C4'-P energy: -107.815 bonds (distance) P-C4' energy: -117.712 flat angles C4'-P-C4' energy: -118.638 flat angles P-C4'-P energy: -67.411 tors. eta vs tors. theta energy: -74.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -765.062303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.062303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.062303 (E_RNA) where: Base-Base interactions energy: -303.263 where: short stacking energy: -274.647 Base-Backbone interact. energy: 0.516 local terms energy: -462.315342 where: bonds (distance) C4'-P energy: -106.029 bonds (distance) P-C4' energy: -116.165 flat angles C4'-P-C4' energy: -127.401 flat angles P-C4'-P energy: -65.196 tors. eta vs tors. theta energy: -47.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -718.544427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.544427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.544427 (E_RNA) where: Base-Base interactions energy: -283.093 where: short stacking energy: -255.878 Base-Backbone interact. energy: -0.899 local terms energy: -434.551881 where: bonds (distance) C4'-P energy: -114.683 bonds (distance) P-C4' energy: -114.488 flat angles C4'-P-C4' energy: -84.026 flat angles P-C4'-P energy: -74.555 tors. eta vs tors. theta energy: -46.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -671.328801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.328801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.328801 (E_RNA) where: Base-Base interactions energy: -250.839 where: short stacking energy: -216.643 Base-Backbone interact. energy: -0.235 local terms energy: -420.254907 where: bonds (distance) C4'-P energy: -120.044 bonds (distance) P-C4' energy: -107.043 flat angles C4'-P-C4' energy: -94.589 flat angles P-C4'-P energy: -63.612 tors. eta vs tors. theta energy: -34.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -614.242161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.242161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.242161 (E_RNA) where: Base-Base interactions energy: -233.870 where: short stacking energy: -188.950 Base-Backbone interact. energy: 1.827 local terms energy: -382.198955 where: bonds (distance) C4'-P energy: -110.603 bonds (distance) P-C4' energy: -111.788 flat angles C4'-P-C4' energy: -100.200 flat angles P-C4'-P energy: -55.036 tors. eta vs tors. theta energy: -4.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -567.536832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.536832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.536832 (E_RNA) where: Base-Base interactions energy: -209.072 where: short stacking energy: -189.132 Base-Backbone interact. energy: 1.209 local terms energy: -359.674410 where: bonds (distance) C4'-P energy: -117.504 bonds (distance) P-C4' energy: -97.139 flat angles C4'-P-C4' energy: -89.377 flat angles P-C4'-P energy: -50.100 tors. eta vs tors. theta energy: -5.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -505.616741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.616741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.616741 (E_RNA) where: Base-Base interactions energy: -164.753 where: short stacking energy: -153.079 Base-Backbone interact. energy: 0.130 local terms energy: -340.994389 where: bonds (distance) C4'-P energy: -93.220 bonds (distance) P-C4' energy: -106.428 flat angles C4'-P-C4' energy: -95.537 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: -0.335 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -476.324361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.324361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.324361 (E_RNA) where: Base-Base interactions energy: -150.380 where: short stacking energy: -130.226 Base-Backbone interact. energy: -1.169 local terms energy: -324.775520 where: bonds (distance) C4'-P energy: -84.729 bonds (distance) P-C4' energy: -107.193 flat angles C4'-P-C4' energy: -82.069 flat angles P-C4'-P energy: -57.971 tors. eta vs tors. theta energy: 7.187 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1101.714117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.714117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.714117 (E_RNA) where: Base-Base interactions energy: -556.510 where: short stacking energy: -405.334 Base-Backbone interact. energy: 0.448 local terms energy: -545.651722 where: bonds (distance) C4'-P energy: -105.953 bonds (distance) P-C4' energy: -135.044 flat angles C4'-P-C4' energy: -125.910 flat angles P-C4'-P energy: -77.531 tors. eta vs tors. theta energy: -101.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -968.001447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.001447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.001447 (E_RNA) where: Base-Base interactions energy: -455.085 where: short stacking energy: -381.498 Base-Backbone interact. energy: -2.012 local terms energy: -510.904608 where: bonds (distance) C4'-P energy: -102.300 bonds (distance) P-C4' energy: -120.654 flat angles C4'-P-C4' energy: -126.071 flat angles P-C4'-P energy: -82.416 tors. eta vs tors. theta energy: -79.464 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -926.286994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.286994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.286994 (E_RNA) where: Base-Base interactions energy: -400.859 where: short stacking energy: -343.450 Base-Backbone interact. energy: -0.470 local terms energy: -524.957777 where: bonds (distance) C4'-P energy: -125.931 bonds (distance) P-C4' energy: -112.494 flat angles C4'-P-C4' energy: -121.263 flat angles P-C4'-P energy: -85.934 tors. eta vs tors. theta energy: -79.337 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -812.939181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.939181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.939181 (E_RNA) where: Base-Base interactions energy: -350.070 where: short stacking energy: -283.630 Base-Backbone interact. energy: -0.126 local terms energy: -462.743570 where: bonds (distance) C4'-P energy: -105.958 bonds (distance) P-C4' energy: -125.894 flat angles C4'-P-C4' energy: -106.621 flat angles P-C4'-P energy: -87.438 tors. eta vs tors. theta energy: -36.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -778.412125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.412125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.412125 (E_RNA) where: Base-Base interactions energy: -348.242 where: short stacking energy: -265.202 Base-Backbone interact. energy: 1.332 local terms energy: -431.502123 where: bonds (distance) C4'-P energy: -115.652 bonds (distance) P-C4' energy: -115.125 flat angles C4'-P-C4' energy: -94.408 flat angles P-C4'-P energy: -63.816 tors. eta vs tors. theta energy: -42.500 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: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -725.537625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.537625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.537625 (E_RNA) where: Base-Base interactions energy: -317.035 where: short stacking energy: -197.571 Base-Backbone interact. energy: -2.858 local terms energy: -405.644530 where: bonds (distance) C4'-P energy: -93.818 bonds (distance) P-C4' energy: -109.818 flat angles C4'-P-C4' energy: -120.072 flat angles P-C4'-P energy: -70.918 tors. eta vs tors. theta energy: -11.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -578.703664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.703664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.703664 (E_RNA) where: Base-Base interactions energy: -178.254 where: short stacking energy: -145.455 Base-Backbone interact. energy: -2.500 local terms energy: -397.949029 where: bonds (distance) C4'-P energy: -110.278 bonds (distance) P-C4' energy: -121.382 flat angles C4'-P-C4' energy: -96.101 flat angles P-C4'-P energy: -71.169 tors. eta vs tors. theta energy: 0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -565.728066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.728066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.728066 (E_RNA) where: Base-Base interactions energy: -228.912 where: short stacking energy: -146.397 Base-Backbone interact. energy: -1.008 local terms energy: -335.808151 where: bonds (distance) C4'-P energy: -111.809 bonds (distance) P-C4' energy: -114.352 flat angles C4'-P-C4' energy: -86.371 flat angles P-C4'-P energy: -35.540 tors. eta vs tors. theta energy: 12.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -576.461422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.461422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.461422 (E_RNA) where: Base-Base interactions energy: -234.991 where: short stacking energy: -184.402 Base-Backbone interact. energy: -3.067 local terms energy: -338.404008 where: bonds (distance) C4'-P energy: -93.720 bonds (distance) P-C4' energy: -102.935 flat angles C4'-P-C4' energy: -93.901 flat angles P-C4'-P energy: -44.810 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -483.907347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.907347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.907347 (E_RNA) where: Base-Base interactions energy: -154.808 where: short stacking energy: -139.584 Base-Backbone interact. energy: -1.243 local terms energy: -327.857063 where: bonds (distance) C4'-P energy: -102.225 bonds (distance) P-C4' energy: -106.995 flat angles C4'-P-C4' energy: -90.431 flat angles P-C4'-P energy: -39.669 tors. eta vs tors. theta energy: 11.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1123.065647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.065647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.065647 (E_RNA) where: Base-Base interactions energy: -532.330 where: short stacking energy: -432.122 Base-Backbone interact. energy: -0.008 local terms energy: -590.728037 where: bonds (distance) C4'-P energy: -116.151 bonds (distance) P-C4' energy: -128.528 flat angles C4'-P-C4' energy: -141.393 flat angles P-C4'-P energy: -91.924 tors. eta vs tors. theta energy: -112.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1004.671672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.671672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.671672 (E_RNA) where: Base-Base interactions energy: -501.560 where: short stacking energy: -355.954 Base-Backbone interact. energy: -3.879 local terms energy: -499.232977 where: bonds (distance) C4'-P energy: -111.710 bonds (distance) P-C4' energy: -125.206 flat angles C4'-P-C4' energy: -127.503 flat angles P-C4'-P energy: -70.636 tors. eta vs tors. theta energy: -64.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -923.133754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.133754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.133754 (E_RNA) where: Base-Base interactions energy: -418.714 where: short stacking energy: -346.828 Base-Backbone interact. energy: 0.089 local terms energy: -504.508121 where: bonds (distance) C4'-P energy: -110.213 bonds (distance) P-C4' energy: -114.433 flat angles C4'-P-C4' energy: -117.713 flat angles P-C4'-P energy: -87.807 tors. eta vs tors. theta energy: -74.342 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: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -859.216999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.216999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.216999 (E_RNA) where: Base-Base interactions energy: -372.894 where: short stacking energy: -291.208 Base-Backbone interact. energy: -1.021 local terms energy: -485.302189 where: bonds (distance) C4'-P energy: -115.508 bonds (distance) P-C4' energy: -124.947 flat angles C4'-P-C4' energy: -109.010 flat angles P-C4'-P energy: -73.719 tors. eta vs tors. theta energy: -62.118 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: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -703.089690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.089690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.089690 (E_RNA) where: Base-Base interactions energy: -291.863 where: short stacking energy: -254.381 Base-Backbone interact. energy: -1.148 local terms energy: -410.078392 where: bonds (distance) C4'-P energy: -100.893 bonds (distance) P-C4' energy: -101.485 flat angles C4'-P-C4' energy: -118.211 flat angles P-C4'-P energy: -54.428 tors. eta vs tors. theta energy: -35.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -637.602669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.602669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.602669 (E_RNA) where: Base-Base interactions energy: -245.969 where: short stacking energy: -220.232 Base-Backbone interact. energy: -1.742 local terms energy: -389.891638 where: bonds (distance) C4'-P energy: -102.830 bonds (distance) P-C4' energy: -110.653 flat angles C4'-P-C4' energy: -87.940 flat angles P-C4'-P energy: -65.274 tors. eta vs tors. theta energy: -23.194 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: 9 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -602.031994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.031994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.031994 (E_RNA) where: Base-Base interactions energy: -206.750 where: short stacking energy: -180.631 Base-Backbone interact. energy: 4.097 local terms energy: -399.378740 where: bonds (distance) C4'-P energy: -104.403 bonds (distance) P-C4' energy: -128.139 flat angles C4'-P-C4' energy: -97.717 flat angles P-C4'-P energy: -66.671 tors. eta vs tors. theta energy: -2.449 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: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -611.485442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.485442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.485442 (E_RNA) where: Base-Base interactions energy: -244.606 where: short stacking energy: -182.861 Base-Backbone interact. energy: -1.189 local terms energy: -365.691002 where: bonds (distance) C4'-P energy: -99.240 bonds (distance) P-C4' energy: -112.311 flat angles C4'-P-C4' energy: -84.457 flat angles P-C4'-P energy: -64.319 tors. eta vs tors. theta energy: -5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -532.140114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.140114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.140114 (E_RNA) where: Base-Base interactions energy: -194.534 where: short stacking energy: -127.700 Base-Backbone interact. energy: -2.671 local terms energy: -334.935540 where: bonds (distance) C4'-P energy: -92.383 bonds (distance) P-C4' energy: -109.043 flat angles C4'-P-C4' energy: -76.299 flat angles P-C4'-P energy: -61.781 tors. eta vs tors. theta energy: 4.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -466.615580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.615580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.615580 (E_RNA) where: Base-Base interactions energy: -159.503 where: short stacking energy: -141.088 Base-Backbone interact. energy: 0.951 local terms energy: -308.063730 where: bonds (distance) C4'-P energy: -96.052 bonds (distance) P-C4' energy: -97.464 flat angles C4'-P-C4' energy: -66.255 flat angles P-C4'-P energy: -54.455 tors. eta vs tors. theta energy: 6.161 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1142.370160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.370160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.370160 (E_RNA) where: Base-Base interactions energy: -587.631 where: short stacking energy: -441.373 Base-Backbone interact. energy: 0.893 local terms energy: -555.631513 where: bonds (distance) C4'-P energy: -125.076 bonds (distance) P-C4' energy: -119.625 flat angles C4'-P-C4' energy: -129.578 flat angles P-C4'-P energy: -79.960 tors. eta vs tors. theta energy: -101.392 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: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1090.303366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.303366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.303366 (E_RNA) where: Base-Base interactions energy: -573.939 where: short stacking energy: -372.347 Base-Backbone interact. energy: -0.627 local terms energy: -515.738238 where: bonds (distance) C4'-P energy: -122.102 bonds (distance) P-C4' energy: -112.592 flat angles C4'-P-C4' energy: -125.165 flat angles P-C4'-P energy: -82.825 tors. eta vs tors. theta energy: -73.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1011.337366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.337366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.337366 (E_RNA) where: Base-Base interactions energy: -519.761 where: short stacking energy: -325.764 Base-Backbone interact. energy: -2.792 local terms energy: -488.784510 where: bonds (distance) C4'-P energy: -120.164 bonds (distance) P-C4' energy: -115.121 flat angles C4'-P-C4' energy: -116.852 flat angles P-C4'-P energy: -72.536 tors. eta vs tors. theta energy: -64.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -956.428169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.428169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.428169 (E_RNA) where: Base-Base interactions energy: -483.664 where: short stacking energy: -278.862 Base-Backbone interact. energy: 0.850 local terms energy: -473.613635 where: bonds (distance) C4'-P energy: -120.514 bonds (distance) P-C4' energy: -121.628 flat angles C4'-P-C4' energy: -119.176 flat angles P-C4'-P energy: -58.315 tors. eta vs tors. theta energy: -53.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -732.198689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.198689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.198689 (E_RNA) where: Base-Base interactions energy: -302.910 where: short stacking energy: -245.782 Base-Backbone interact. energy: -2.553 local terms energy: -426.736426 where: bonds (distance) C4'-P energy: -108.220 bonds (distance) P-C4' energy: -121.307 flat angles C4'-P-C4' energy: -100.231 flat angles P-C4'-P energy: -67.012 tors. eta vs tors. theta energy: -29.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -732.983868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.983868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.983868 (E_RNA) where: Base-Base interactions energy: -330.441 where: short stacking energy: -243.171 Base-Backbone interact. energy: -0.444 local terms energy: -402.098449 where: bonds (distance) C4'-P energy: -101.444 bonds (distance) P-C4' energy: -119.161 flat angles C4'-P-C4' energy: -102.647 flat angles P-C4'-P energy: -50.050 tors. eta vs tors. theta energy: -28.796 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: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -687.864132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.864132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.864132 (E_RNA) where: Base-Base interactions energy: -332.724 where: short stacking energy: -205.836 Base-Backbone interact. energy: -0.072 local terms energy: -355.067954 where: bonds (distance) C4'-P energy: -92.995 bonds (distance) P-C4' energy: -115.375 flat angles C4'-P-C4' energy: -103.978 flat angles P-C4'-P energy: -43.292 tors. eta vs tors. theta energy: 0.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -542.260625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.260625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.260625 (E_RNA) where: Base-Base interactions energy: -193.551 where: short stacking energy: -157.367 Base-Backbone interact. energy: 5.618 local terms energy: -354.326781 where: bonds (distance) C4'-P energy: -105.058 bonds (distance) P-C4' energy: -99.979 flat angles C4'-P-C4' energy: -89.410 flat angles P-C4'-P energy: -68.668 tors. eta vs tors. theta energy: 8.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -488.613412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.613412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.613412 (E_RNA) where: Base-Base interactions energy: -196.579 where: short stacking energy: -152.132 Base-Backbone interact. energy: 3.385 local terms energy: -295.419699 where: bonds (distance) C4'-P energy: -85.687 bonds (distance) P-C4' energy: -112.260 flat angles C4'-P-C4' energy: -87.018 flat angles P-C4'-P energy: -38.627 tors. eta vs tors. theta energy: 28.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -465.414905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.414905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.414905 (E_RNA) where: Base-Base interactions energy: -124.244 where: short stacking energy: -99.693 Base-Backbone interact. energy: -1.790 local terms energy: -339.381763 where: bonds (distance) C4'-P energy: -92.910 bonds (distance) P-C4' energy: -103.608 flat angles C4'-P-C4' energy: -84.881 flat angles P-C4'-P energy: -67.609 tors. eta vs tors. theta energy: 9.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1140.902054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.902054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.902054 (E_RNA) where: Base-Base interactions energy: -584.948 where: short stacking energy: -418.299 Base-Backbone interact. energy: -1.592 local terms energy: -554.361784 where: bonds (distance) C4'-P energy: -122.146 bonds (distance) P-C4' energy: -131.144 flat angles C4'-P-C4' energy: -126.062 flat angles P-C4'-P energy: -74.031 tors. eta vs tors. theta energy: -100.980 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: 7 Temperature: 0.950000 Total energy: -1179.463144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.463144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.463144 (E_RNA) where: Base-Base interactions energy: -650.101 where: short stacking energy: -409.797 Base-Backbone interact. energy: -2.860 local terms energy: -526.501640 where: bonds (distance) C4'-P energy: -109.061 bonds (distance) P-C4' energy: -120.697 flat angles C4'-P-C4' energy: -130.670 flat angles P-C4'-P energy: -76.998 tors. eta vs tors. theta energy: -89.076 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: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1052.517170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.517170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.517170 (E_RNA) where: Base-Base interactions energy: -548.383 where: short stacking energy: -340.737 Base-Backbone interact. energy: -0.550 local terms energy: -503.584241 where: bonds (distance) C4'-P energy: -124.635 bonds (distance) P-C4' energy: -127.703 flat angles C4'-P-C4' energy: -111.720 flat angles P-C4'-P energy: -70.606 tors. eta vs tors. theta energy: -68.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1070.889203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.889203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.889203 (E_RNA) where: Base-Base interactions energy: -603.080 where: short stacking energy: -369.877 Base-Backbone interact. energy: -2.017 local terms energy: -465.792357 where: bonds (distance) C4'-P energy: -107.130 bonds (distance) P-C4' energy: -105.549 flat angles C4'-P-C4' energy: -116.827 flat angles P-C4'-P energy: -61.990 tors. eta vs tors. theta energy: -74.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -750.070559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.070559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.070559 (E_RNA) where: Base-Base interactions energy: -327.316 where: short stacking energy: -252.159 Base-Backbone interact. energy: -1.568 local terms energy: -421.186515 where: bonds (distance) C4'-P energy: -96.870 bonds (distance) P-C4' energy: -109.921 flat angles C4'-P-C4' energy: -100.145 flat angles P-C4'-P energy: -84.135 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: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -800.812967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.812967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.812967 (E_RNA) where: Base-Base interactions energy: -409.534 where: short stacking energy: -272.324 Base-Backbone interact. energy: -1.795 local terms energy: -389.484064 where: bonds (distance) C4'-P energy: -94.657 bonds (distance) P-C4' energy: -101.197 flat angles C4'-P-C4' energy: -99.126 flat angles P-C4'-P energy: -54.153 tors. eta vs tors. theta energy: -40.352 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: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -715.308540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.308540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.308540 (E_RNA) where: Base-Base interactions energy: -318.211 where: short stacking energy: -234.791 Base-Backbone interact. energy: -0.122 local terms energy: -396.975167 where: bonds (distance) C4'-P energy: -95.662 bonds (distance) P-C4' energy: -116.720 flat angles C4'-P-C4' energy: -97.398 flat angles P-C4'-P energy: -54.888 tors. eta vs tors. theta energy: -32.307 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: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -674.478746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.478746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.478746 (E_RNA) where: Base-Base interactions energy: -318.147 where: short stacking energy: -221.700 Base-Backbone interact. energy: -0.709 local terms energy: -355.623339 where: bonds (distance) C4'-P energy: -113.006 bonds (distance) P-C4' energy: -84.924 flat angles C4'-P-C4' energy: -99.223 flat angles P-C4'-P energy: -53.660 tors. eta vs tors. theta energy: -4.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -519.334332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.334332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.334332 (E_RNA) where: Base-Base interactions energy: -197.947 where: short stacking energy: -136.947 Base-Backbone interact. energy: -2.825 local terms energy: -318.562849 where: bonds (distance) C4'-P energy: -92.376 bonds (distance) P-C4' energy: -111.730 flat angles C4'-P-C4' energy: -81.113 flat angles P-C4'-P energy: -50.067 tors. eta vs tors. theta energy: 16.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -452.447423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.447423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.447423 (E_RNA) where: Base-Base interactions energy: -168.010 where: short stacking energy: -139.221 Base-Backbone interact. energy: 0.661 local terms energy: -285.098167 where: bonds (distance) C4'-P energy: -76.954 bonds (distance) P-C4' energy: -113.171 flat angles C4'-P-C4' energy: -72.095 flat angles P-C4'-P energy: -54.393 tors. eta vs tors. theta energy: 31.514 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1171.063794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.063794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.063794 (E_RNA) where: Base-Base interactions energy: -608.060 where: short stacking energy: -409.793 Base-Backbone interact. energy: -0.838 local terms energy: -562.166548 where: bonds (distance) C4'-P energy: -121.255 bonds (distance) P-C4' energy: -129.816 flat angles C4'-P-C4' energy: -124.141 flat angles P-C4'-P energy: -81.222 tors. eta vs tors. theta energy: -105.733 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: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1210.740977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.740977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.740977 (E_RNA) where: Base-Base interactions energy: -664.909 where: short stacking energy: -400.773 Base-Backbone interact. energy: -0.968 local terms energy: -544.864059 where: bonds (distance) C4'-P energy: -118.369 bonds (distance) P-C4' energy: -117.964 flat angles C4'-P-C4' energy: -123.138 flat angles P-C4'-P energy: -91.262 tors. eta vs tors. theta energy: -94.131 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: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1084.579028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.579028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.579028 (E_RNA) where: Base-Base interactions energy: -578.387 where: short stacking energy: -341.479 Base-Backbone interact. energy: -0.411 local terms energy: -505.780584 where: bonds (distance) C4'-P energy: -127.444 bonds (distance) P-C4' energy: -122.448 flat angles C4'-P-C4' energy: -114.138 flat angles P-C4'-P energy: -74.984 tors. eta vs tors. theta energy: -66.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1068.756113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.756113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.756113 (E_RNA) where: Base-Base interactions energy: -605.664 where: short stacking energy: -339.949 Base-Backbone interact. energy: 3.510 local terms energy: -466.602091 where: bonds (distance) C4'-P energy: -103.802 bonds (distance) P-C4' energy: -126.773 flat angles C4'-P-C4' energy: -97.370 flat angles P-C4'-P energy: -68.238 tors. eta vs tors. theta energy: -70.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -812.088787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.088787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.088787 (E_RNA) where: Base-Base interactions energy: -389.606 where: short stacking energy: -258.407 Base-Backbone interact. energy: 1.614 local terms energy: -424.095910 where: bonds (distance) C4'-P energy: -108.842 bonds (distance) P-C4' energy: -117.241 flat angles C4'-P-C4' energy: -109.204 flat angles P-C4'-P energy: -61.219 tors. eta vs tors. theta energy: -27.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -832.144137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.144137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.144137 (E_RNA) where: Base-Base interactions energy: -418.530 where: short stacking energy: -232.495 Base-Backbone interact. energy: -0.224 local terms energy: -413.389594 where: bonds (distance) C4'-P energy: -102.540 bonds (distance) P-C4' energy: -121.462 flat angles C4'-P-C4' energy: -107.694 flat angles P-C4'-P energy: -54.041 tors. eta vs tors. theta energy: -27.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -690.273549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.273549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.273549 (E_RNA) where: Base-Base interactions energy: -297.179 where: short stacking energy: -218.091 Base-Backbone interact. energy: -2.287 local terms energy: -390.807494 where: bonds (distance) C4'-P energy: -103.497 bonds (distance) P-C4' energy: -103.012 flat angles C4'-P-C4' energy: -109.320 flat angles P-C4'-P energy: -48.663 tors. eta vs tors. theta energy: -26.316 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: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -568.905620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.905620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.905620 (E_RNA) where: Base-Base interactions energy: -255.633 where: short stacking energy: -176.236 Base-Backbone interact. energy: -0.920 local terms energy: -312.353279 where: bonds (distance) C4'-P energy: -92.063 bonds (distance) P-C4' energy: -91.030 flat angles C4'-P-C4' energy: -81.438 flat angles P-C4'-P energy: -48.206 tors. eta vs tors. theta energy: 0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -521.750816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.750816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.750816 (E_RNA) where: Base-Base interactions energy: -183.543 where: short stacking energy: -126.941 Base-Backbone interact. energy: 0.630 local terms energy: -338.837977 where: bonds (distance) C4'-P energy: -88.484 bonds (distance) P-C4' energy: -126.244 flat angles C4'-P-C4' energy: -100.506 flat angles P-C4'-P energy: -39.872 tors. eta vs tors. theta energy: 16.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -451.968382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.968382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.968382 (E_RNA) where: Base-Base interactions energy: -151.045 where: short stacking energy: -113.714 Base-Backbone interact. energy: -0.028 local terms energy: -300.896254 where: bonds (distance) C4'-P energy: -80.444 bonds (distance) P-C4' energy: -107.087 flat angles C4'-P-C4' energy: -91.337 flat angles P-C4'-P energy: -46.814 tors. eta vs tors. theta energy: 24.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1201.681868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.681868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.681868 (E_RNA) where: Base-Base interactions energy: -625.285 where: short stacking energy: -388.823 Base-Backbone interact. energy: -0.738 local terms energy: -575.658440 where: bonds (distance) C4'-P energy: -135.861 bonds (distance) P-C4' energy: -135.727 flat angles C4'-P-C4' energy: -127.031 flat angles P-C4'-P energy: -78.926 tors. eta vs tors. theta energy: -98.114 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: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1227.374797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.374797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.374797 (E_RNA) where: Base-Base interactions energy: -680.039 where: short stacking energy: -385.400 Base-Backbone interact. energy: 1.176 local terms energy: -548.511026 where: bonds (distance) C4'-P energy: -132.296 bonds (distance) P-C4' energy: -128.936 flat angles C4'-P-C4' energy: -118.792 flat angles P-C4'-P energy: -85.284 tors. eta vs tors. theta energy: -83.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1116.669072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.669072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.669072 (E_RNA) where: Base-Base interactions energy: -617.568 where: short stacking energy: -354.668 Base-Backbone interact. energy: -1.679 local terms energy: -497.422402 where: bonds (distance) C4'-P energy: -110.791 bonds (distance) P-C4' energy: -125.108 flat angles C4'-P-C4' energy: -108.284 flat angles P-C4'-P energy: -80.515 tors. eta vs tors. theta energy: -72.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1190.255966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.255966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.255966 (E_RNA) where: Base-Base interactions energy: -698.419 where: short stacking energy: -375.286 Base-Backbone interact. energy: -1.141 local terms energy: -490.696053 where: bonds (distance) C4'-P energy: -109.020 bonds (distance) P-C4' energy: -108.950 flat angles C4'-P-C4' energy: -124.368 flat angles P-C4'-P energy: -62.515 tors. eta vs tors. theta energy: -85.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -817.788617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.788617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.788617 (E_RNA) where: Base-Base interactions energy: -391.192 where: short stacking energy: -264.861 Base-Backbone interact. energy: -1.840 local terms energy: -424.757067 where: bonds (distance) C4'-P energy: -116.215 bonds (distance) P-C4' energy: -115.765 flat angles C4'-P-C4' energy: -112.674 flat angles P-C4'-P energy: -52.427 tors. eta vs tors. theta energy: -27.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -783.013737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.013737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.013737 (E_RNA) where: Base-Base interactions energy: -361.926 where: short stacking energy: -229.569 Base-Backbone interact. energy: -0.915 local terms energy: -420.172403 where: bonds (distance) C4'-P energy: -111.004 bonds (distance) P-C4' energy: -109.124 flat angles C4'-P-C4' energy: -107.900 flat angles P-C4'-P energy: -63.746 tors. eta vs tors. theta energy: -28.398 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: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -744.191584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.191584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.191584 (E_RNA) where: Base-Base interactions energy: -335.550 where: short stacking energy: -224.979 Base-Backbone interact. energy: 0.389 local terms energy: -409.030208 where: bonds (distance) C4'-P energy: -97.767 bonds (distance) P-C4' energy: -103.932 flat angles C4'-P-C4' energy: -102.174 flat angles P-C4'-P energy: -74.123 tors. eta vs tors. theta energy: -31.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -644.810199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.810199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.810199 (E_RNA) where: Base-Base interactions energy: -257.984 where: short stacking energy: -187.919 Base-Backbone interact. energy: -1.055 local terms energy: -385.771317 where: bonds (distance) C4'-P energy: -118.091 bonds (distance) P-C4' energy: -129.811 flat angles C4'-P-C4' energy: -105.014 flat angles P-C4'-P energy: -33.524 tors. eta vs tors. theta energy: 0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -511.515508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.515508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.515508 (E_RNA) where: Base-Base interactions energy: -194.248 where: short stacking energy: -146.099 Base-Backbone interact. energy: 2.005 local terms energy: -319.272498 where: bonds (distance) C4'-P energy: -85.435 bonds (distance) P-C4' energy: -104.304 flat angles C4'-P-C4' energy: -101.579 flat angles P-C4'-P energy: -49.072 tors. eta vs tors. theta energy: 21.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -511.798897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.798897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.798897 (E_RNA) where: Base-Base interactions energy: -189.878 where: short stacking energy: -127.537 Base-Backbone interact. energy: -3.210 local terms energy: -318.711364 where: bonds (distance) C4'-P energy: -92.976 bonds (distance) P-C4' energy: -115.810 flat angles C4'-P-C4' energy: -97.582 flat angles P-C4'-P energy: -34.248 tors. eta vs tors. theta energy: 21.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1411.222477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.222477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.222477 (E_RNA) where: Base-Base interactions energy: -804.014 where: short stacking energy: -459.386 Base-Backbone interact. energy: -0.311 local terms energy: -606.896679 where: bonds (distance) C4'-P energy: -120.796 bonds (distance) P-C4' energy: -127.332 flat angles C4'-P-C4' energy: -133.795 flat angles P-C4'-P energy: -99.592 tors. eta vs tors. theta energy: -125.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1183.614421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.614421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.614421 (E_RNA) where: Base-Base interactions energy: -630.244 where: short stacking energy: -388.386 Base-Backbone interact. energy: 1.684 local terms energy: -555.054448 where: bonds (distance) C4'-P energy: -128.898 bonds (distance) P-C4' energy: -123.136 flat angles C4'-P-C4' energy: -140.177 flat angles P-C4'-P energy: -81.271 tors. eta vs tors. theta energy: -81.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1291.517792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.517792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.517792 (E_RNA) where: Base-Base interactions energy: -749.640 where: short stacking energy: -376.555 Base-Backbone interact. energy: -1.894 local terms energy: -539.983761 where: bonds (distance) C4'-P energy: -118.179 bonds (distance) P-C4' energy: -109.533 flat angles C4'-P-C4' energy: -133.786 flat angles P-C4'-P energy: -84.188 tors. eta vs tors. theta energy: -94.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1129.615679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.615679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.615679 (E_RNA) where: Base-Base interactions energy: -631.230 where: short stacking energy: -321.978 Base-Backbone interact. energy: -0.382 local terms energy: -498.003725 where: bonds (distance) C4'-P energy: -112.067 bonds (distance) P-C4' energy: -128.716 flat angles C4'-P-C4' energy: -123.224 flat angles P-C4'-P energy: -77.613 tors. eta vs tors. theta energy: -56.384 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: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -896.545192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.545192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.545192 (E_RNA) where: Base-Base interactions energy: -453.626 where: short stacking energy: -268.861 Base-Backbone interact. energy: -2.438 local terms energy: -440.480932 where: bonds (distance) C4'-P energy: -114.896 bonds (distance) P-C4' energy: -112.501 flat angles C4'-P-C4' energy: -104.521 flat angles P-C4'-P energy: -72.373 tors. eta vs tors. theta energy: -36.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -939.546989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.546989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.546989 (E_RNA) where: Base-Base interactions energy: -519.378 where: short stacking energy: -248.795 Base-Backbone interact. energy: 1.150 local terms energy: -421.318708 where: bonds (distance) C4'-P energy: -114.204 bonds (distance) P-C4' energy: -95.107 flat angles C4'-P-C4' energy: -95.404 flat angles P-C4'-P energy: -81.294 tors. eta vs tors. theta energy: -35.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -735.436573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.436573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.436573 (E_RNA) where: Base-Base interactions energy: -350.650 where: short stacking energy: -226.028 Base-Backbone interact. energy: 2.188 local terms energy: -386.975121 where: bonds (distance) C4'-P energy: -98.820 bonds (distance) P-C4' energy: -105.535 flat angles C4'-P-C4' energy: -95.127 flat angles P-C4'-P energy: -64.581 tors. eta vs tors. theta energy: -22.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -586.392167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.392167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.392167 (E_RNA) where: Base-Base interactions energy: -208.974 where: short stacking energy: -180.782 Base-Backbone interact. energy: -2.450 local terms energy: -374.968143 where: bonds (distance) C4'-P energy: -105.316 bonds (distance) P-C4' energy: -120.524 flat angles C4'-P-C4' energy: -101.125 flat angles P-C4'-P energy: -49.970 tors. eta vs tors. theta energy: 1.967 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: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -525.526353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.526353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.526353 (E_RNA) where: Base-Base interactions energy: -206.831 where: short stacking energy: -126.062 Base-Backbone interact. energy: -3.325 local terms energy: -315.370833 where: bonds (distance) C4'-P energy: -94.659 bonds (distance) P-C4' energy: -101.594 flat angles C4'-P-C4' energy: -83.031 flat angles P-C4'-P energy: -40.562 tors. eta vs tors. theta energy: 4.475 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: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -478.864647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.864647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.864647 (E_RNA) where: Base-Base interactions energy: -179.729 where: short stacking energy: -150.316 Base-Backbone interact. energy: -1.755 local terms energy: -297.380246 where: bonds (distance) C4'-P energy: -109.530 bonds (distance) P-C4' energy: -94.123 flat angles C4'-P-C4' energy: -79.518 flat angles P-C4'-P energy: -37.894 tors. eta vs tors. theta energy: 23.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1426.635259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.635259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.635259 (E_RNA) where: Base-Base interactions energy: -846.316 where: short stacking energy: -453.188 Base-Backbone interact. energy: -4.200 local terms energy: -576.119189 where: bonds (distance) C4'-P energy: -130.466 bonds (distance) P-C4' energy: -128.851 flat angles C4'-P-C4' energy: -127.198 flat angles P-C4'-P energy: -79.090 tors. eta vs tors. theta energy: -110.514 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: 4 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1448.486018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.486018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.486018 (E_RNA) where: Base-Base interactions energy: -858.703 where: short stacking energy: -407.424 Base-Backbone interact. energy: -2.860 local terms energy: -586.923253 where: bonds (distance) C4'-P energy: -121.940 bonds (distance) P-C4' energy: -129.483 flat angles C4'-P-C4' energy: -131.768 flat angles P-C4'-P energy: -90.124 tors. eta vs tors. theta energy: -113.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1145.513323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.513323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.513323 (E_RNA) where: Base-Base interactions energy: -632.919 where: short stacking energy: -358.766 Base-Backbone interact. energy: -1.424 local terms energy: -511.169778 where: bonds (distance) C4'-P energy: -110.026 bonds (distance) P-C4' energy: -128.966 flat angles C4'-P-C4' energy: -110.138 flat angles P-C4'-P energy: -71.326 tors. eta vs tors. theta energy: -90.713 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: 4, replica: 3 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1151.557635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.557635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.557635 (E_RNA) where: Base-Base interactions energy: -648.881 where: short stacking energy: -351.327 Base-Backbone interact. energy: 0.753 local terms energy: -503.429847 where: bonds (distance) C4'-P energy: -115.323 bonds (distance) P-C4' energy: -120.710 flat angles C4'-P-C4' energy: -102.218 flat angles P-C4'-P energy: -78.961 tors. eta vs tors. theta energy: -86.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1058.420995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.420995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.420995 (E_RNA) where: Base-Base interactions energy: -576.843 where: short stacking energy: -305.932 Base-Backbone interact. energy: 0.162 local terms energy: -481.740117 where: bonds (distance) C4'-P energy: -132.155 bonds (distance) P-C4' energy: -123.880 flat angles C4'-P-C4' energy: -111.647 flat angles P-C4'-P energy: -59.139 tors. eta vs tors. theta energy: -54.919 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: 10 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1044.109040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.109040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.109040 (E_RNA) where: Base-Base interactions energy: -572.254 where: short stacking energy: -306.889 Base-Backbone interact. energy: -1.447 local terms energy: -470.408687 where: bonds (distance) C4'-P energy: -102.031 bonds (distance) P-C4' energy: -127.699 flat angles C4'-P-C4' energy: -101.970 flat angles P-C4'-P energy: -76.391 tors. eta vs tors. theta energy: -62.317 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: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -705.889636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.889636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.889636 (E_RNA) where: Base-Base interactions energy: -309.420 where: short stacking energy: -197.427 Base-Backbone interact. energy: 0.877 local terms energy: -397.346379 where: bonds (distance) C4'-P energy: -107.663 bonds (distance) P-C4' energy: -106.957 flat angles C4'-P-C4' energy: -110.579 flat angles P-C4'-P energy: -42.654 tors. eta vs tors. theta energy: -29.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -640.440320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.440320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.440320 (E_RNA) where: Base-Base interactions energy: -290.075 where: short stacking energy: -176.536 Base-Backbone interact. energy: 2.147 local terms energy: -352.512241 where: bonds (distance) C4'-P energy: -100.640 bonds (distance) P-C4' energy: -104.876 flat angles C4'-P-C4' energy: -86.585 flat angles P-C4'-P energy: -66.800 tors. eta vs tors. theta energy: 6.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -496.698876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.698876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.698876 (E_RNA) where: Base-Base interactions energy: -158.395 where: short stacking energy: -149.333 Base-Backbone interact. energy: 0.719 local terms energy: -339.023178 where: bonds (distance) C4'-P energy: -97.129 bonds (distance) P-C4' energy: -102.468 flat angles C4'-P-C4' energy: -73.910 flat angles P-C4'-P energy: -67.472 tors. eta vs tors. theta energy: 1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -478.294185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.294185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.294185 (E_RNA) where: Base-Base interactions energy: -159.472 where: short stacking energy: -131.831 Base-Backbone interact. energy: 1.154 local terms energy: -319.976547 where: bonds (distance) C4'-P energy: -96.270 bonds (distance) P-C4' energy: -109.456 flat angles C4'-P-C4' energy: -74.990 flat angles P-C4'-P energy: -62.192 tors. eta vs tors. theta energy: 22.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1536.711682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.711682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.711682 (E_RNA) where: Base-Base interactions energy: -934.419 where: short stacking energy: -454.459 Base-Backbone interact. energy: 0.028 local terms energy: -602.320237 where: bonds (distance) C4'-P energy: -116.936 bonds (distance) P-C4' energy: -141.245 flat angles C4'-P-C4' energy: -129.083 flat angles P-C4'-P energy: -94.620 tors. eta vs tors. theta energy: -120.436 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: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1426.159035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.159035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.159035 (E_RNA) where: Base-Base interactions energy: -857.896 where: short stacking energy: -470.034 Base-Backbone interact. energy: -0.435 local terms energy: -567.828049 where: bonds (distance) C4'-P energy: -117.783 bonds (distance) P-C4' energy: -109.795 flat angles C4'-P-C4' energy: -124.462 flat angles P-C4'-P energy: -81.941 tors. eta vs tors. theta energy: -133.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1223.849878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.849878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.849878 (E_RNA) where: Base-Base interactions energy: -698.901 where: short stacking energy: -392.296 Base-Backbone interact. energy: -3.170 local terms energy: -521.778891 where: bonds (distance) C4'-P energy: -117.829 bonds (distance) P-C4' energy: -114.257 flat angles C4'-P-C4' energy: -127.008 flat angles P-C4'-P energy: -71.334 tors. eta vs tors. theta energy: -91.351 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: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1169.092209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.092209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.092209 (E_RNA) where: Base-Base interactions energy: -665.239 where: short stacking energy: -359.691 Base-Backbone interact. energy: -3.775 local terms energy: -500.078302 where: bonds (distance) C4'-P energy: -120.424 bonds (distance) P-C4' energy: -115.718 flat angles C4'-P-C4' energy: -108.745 flat angles P-C4'-P energy: -74.046 tors. eta vs tors. theta energy: -81.145 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: 5, replica: 10 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1139.467225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.467225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.467225 (E_RNA) where: Base-Base interactions energy: -640.262 where: short stacking energy: -315.460 Base-Backbone interact. energy: -0.163 local terms energy: -499.042480 where: bonds (distance) C4'-P energy: -108.881 bonds (distance) P-C4' energy: -120.625 flat angles C4'-P-C4' energy: -114.959 flat angles P-C4'-P energy: -84.124 tors. eta vs tors. theta energy: -70.454 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: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -956.533582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.533582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.533582 (E_RNA) where: Base-Base interactions energy: -524.493 where: short stacking energy: -275.630 Base-Backbone interact. energy: 0.576 local terms energy: -432.616953 where: bonds (distance) C4'-P energy: -93.288 bonds (distance) P-C4' energy: -116.715 flat angles C4'-P-C4' energy: -118.243 flat angles P-C4'-P energy: -61.532 tors. eta vs tors. theta energy: -42.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -666.162716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.162716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.162716 (E_RNA) where: Base-Base interactions energy: -289.257 where: short stacking energy: -210.825 Base-Backbone interact. energy: 2.227 local terms energy: -379.132981 where: bonds (distance) C4'-P energy: -106.051 bonds (distance) P-C4' energy: -119.268 flat angles C4'-P-C4' energy: -95.780 flat angles P-C4'-P energy: -55.750 tors. eta vs tors. theta energy: -2.284 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: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -561.788425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.788425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.788425 (E_RNA) where: Base-Base interactions energy: -209.680 where: short stacking energy: -159.651 Base-Backbone interact. energy: 2.600 local terms energy: -354.708833 where: bonds (distance) C4'-P energy: -104.523 bonds (distance) P-C4' energy: -114.552 flat angles C4'-P-C4' energy: -73.856 flat angles P-C4'-P energy: -57.183 tors. eta vs tors. theta energy: -4.594 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: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -488.368237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.368237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.368237 (E_RNA) where: Base-Base interactions energy: -147.605 where: short stacking energy: -115.744 Base-Backbone interact. energy: -1.552 local terms energy: -339.211155 where: bonds (distance) C4'-P energy: -98.343 bonds (distance) P-C4' energy: -109.407 flat angles C4'-P-C4' energy: -85.907 flat angles P-C4'-P energy: -61.646 tors. eta vs tors. theta energy: 16.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -467.055212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.055212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.055212 (E_RNA) where: Base-Base interactions energy: -182.301 where: short stacking energy: -139.595 Base-Backbone interact. energy: 3.030 local terms energy: -287.784445 where: bonds (distance) C4'-P energy: -102.130 bonds (distance) P-C4' energy: -99.305 flat angles C4'-P-C4' energy: -67.955 flat angles P-C4'-P energy: -32.759 tors. eta vs tors. theta energy: 14.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1571.378666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.378666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.378666 (E_RNA) where: Base-Base interactions energy: -971.328 where: short stacking energy: -493.730 Base-Backbone interact. energy: -2.726 local terms energy: -597.324951 where: bonds (distance) C4'-P energy: -115.623 bonds (distance) P-C4' energy: -124.080 flat angles C4'-P-C4' energy: -135.245 flat angles P-C4'-P energy: -90.398 tors. eta vs tors. theta energy: -131.979 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: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1387.662479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.662479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.662479 (E_RNA) where: Base-Base interactions energy: -828.421 where: short stacking energy: -433.699 Base-Backbone interact. energy: -1.875 local terms energy: -557.366081 where: bonds (distance) C4'-P energy: -116.032 bonds (distance) P-C4' energy: -125.061 flat angles C4'-P-C4' energy: -121.909 flat angles P-C4'-P energy: -75.689 tors. eta vs tors. theta energy: -118.674 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: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1208.577049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.577049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.577049 (E_RNA) where: Base-Base interactions energy: -706.586 where: short stacking energy: -376.983 Base-Backbone interact. energy: -2.544 local terms energy: -499.447167 where: bonds (distance) C4'-P energy: -114.256 bonds (distance) P-C4' energy: -118.760 flat angles C4'-P-C4' energy: -118.595 flat angles P-C4'-P energy: -70.784 tors. eta vs tors. theta energy: -77.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1363.186306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.186306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.186306 (E_RNA) where: Base-Base interactions energy: -852.818 where: short stacking energy: -407.222 Base-Backbone interact. energy: 0.669 local terms energy: -511.037562 where: bonds (distance) C4'-P energy: -122.999 bonds (distance) P-C4' energy: -111.687 flat angles C4'-P-C4' energy: -110.962 flat angles P-C4'-P energy: -68.418 tors. eta vs tors. theta energy: -96.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1093.534841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.534841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.534841 (E_RNA) where: Base-Base interactions energy: -638.240 where: short stacking energy: -336.832 Base-Backbone interact. energy: -0.333 local terms energy: -454.962000 where: bonds (distance) C4'-P energy: -97.627 bonds (distance) P-C4' energy: -108.968 flat angles C4'-P-C4' energy: -102.253 flat angles P-C4'-P energy: -83.494 tors. eta vs tors. theta energy: -62.620 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: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -930.764840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.764840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.764840 (E_RNA) where: Base-Base interactions energy: -532.852 where: short stacking energy: -286.081 Base-Backbone interact. energy: 4.279 local terms energy: -402.191961 where: bonds (distance) C4'-P energy: -101.943 bonds (distance) P-C4' energy: -114.487 flat angles C4'-P-C4' energy: -97.057 flat angles P-C4'-P energy: -44.134 tors. eta vs tors. theta energy: -44.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -643.386057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.386057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.386057 (E_RNA) where: Base-Base interactions energy: -305.061 where: short stacking energy: -211.841 Base-Backbone interact. energy: 4.922 local terms energy: -343.247021 where: bonds (distance) C4'-P energy: -84.831 bonds (distance) P-C4' energy: -101.966 flat angles C4'-P-C4' energy: -99.928 flat angles P-C4'-P energy: -51.492 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -533.061874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.061874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.061874 (E_RNA) where: Base-Base interactions energy: -164.227 where: short stacking energy: -136.158 Base-Backbone interact. energy: -0.718 local terms energy: -368.116296 where: bonds (distance) C4'-P energy: -113.125 bonds (distance) P-C4' energy: -110.098 flat angles C4'-P-C4' energy: -108.143 flat angles P-C4'-P energy: -51.047 tors. eta vs tors. theta energy: 14.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -503.811035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.811035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.811035 (E_RNA) where: Base-Base interactions energy: -176.105 where: short stacking energy: -160.396 Base-Backbone interact. energy: 1.630 local terms energy: -329.336783 where: bonds (distance) C4'-P energy: -106.684 bonds (distance) P-C4' energy: -97.294 flat angles C4'-P-C4' energy: -71.289 flat angles P-C4'-P energy: -66.131 tors. eta vs tors. theta energy: 12.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -465.022301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.022301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.022301 (E_RNA) where: Base-Base interactions energy: -153.593 where: short stacking energy: -122.865 Base-Backbone interact. energy: 0.958 local terms energy: -312.387882 where: bonds (distance) C4'-P energy: -96.339 bonds (distance) P-C4' energy: -90.080 flat angles C4'-P-C4' energy: -99.270 flat angles P-C4'-P energy: -40.685 tors. eta vs tors. theta energy: 13.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1596.477731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.477731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.477731 (E_RNA) where: Base-Base interactions energy: -1003.073 where: short stacking energy: -490.201 Base-Backbone interact. energy: 0.460 local terms energy: -593.864664 where: bonds (distance) C4'-P energy: -121.714 bonds (distance) P-C4' energy: -120.500 flat angles C4'-P-C4' energy: -126.453 flat angles P-C4'-P energy: -85.841 tors. eta vs tors. theta energy: -139.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1403.281868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.281868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.281868 (E_RNA) where: Base-Base interactions energy: -842.442 where: short stacking energy: -436.784 Base-Backbone interact. energy: -1.756 local terms energy: -559.084466 where: bonds (distance) C4'-P energy: -114.886 bonds (distance) P-C4' energy: -125.512 flat angles C4'-P-C4' energy: -108.845 flat angles P-C4'-P energy: -101.688 tors. eta vs tors. theta energy: -108.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1542.431394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.431394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.431394 (E_RNA) where: Base-Base interactions energy: -969.825 where: short stacking energy: -448.724 Base-Backbone interact. energy: -1.632 local terms energy: -570.973617 where: bonds (distance) C4'-P energy: -124.362 bonds (distance) P-C4' energy: -123.305 flat angles C4'-P-C4' energy: -128.957 flat angles P-C4'-P energy: -85.422 tors. eta vs tors. theta energy: -108.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1216.915405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.915405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.915405 (E_RNA) where: Base-Base interactions energy: -720.508 where: short stacking energy: -383.335 Base-Backbone interact. energy: -1.130 local terms energy: -495.277362 where: bonds (distance) C4'-P energy: -110.550 bonds (distance) P-C4' energy: -122.124 flat angles C4'-P-C4' energy: -120.622 flat angles P-C4'-P energy: -61.109 tors. eta vs tors. theta energy: -80.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1049.059848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.059848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.059848 (E_RNA) where: Base-Base interactions energy: -594.181 where: short stacking energy: -324.198 Base-Backbone interact. energy: -1.923 local terms energy: -452.955083 where: bonds (distance) C4'-P energy: -120.977 bonds (distance) P-C4' energy: -102.457 flat angles C4'-P-C4' energy: -104.230 flat angles P-C4'-P energy: -58.396 tors. eta vs tors. theta energy: -66.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -936.548488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.548488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.548488 (E_RNA) where: Base-Base interactions energy: -491.928 where: short stacking energy: -252.309 Base-Backbone interact. energy: -2.549 local terms energy: -442.071182 where: bonds (distance) C4'-P energy: -108.034 bonds (distance) P-C4' energy: -118.355 flat angles C4'-P-C4' energy: -102.315 flat angles P-C4'-P energy: -71.380 tors. eta vs tors. theta energy: -41.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -684.946581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.946581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.946581 (E_RNA) where: Base-Base interactions energy: -304.091 where: short stacking energy: -203.921 Base-Backbone interact. energy: -2.365 local terms energy: -378.490049 where: bonds (distance) C4'-P energy: -117.615 bonds (distance) P-C4' energy: -92.978 flat angles C4'-P-C4' energy: -100.004 flat angles P-C4'-P energy: -60.155 tors. eta vs tors. theta energy: -7.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -581.805153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.805153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.805153 (E_RNA) where: Base-Base interactions energy: -226.147 where: short stacking energy: -165.452 Base-Backbone interact. energy: 2.488 local terms energy: -358.146686 where: bonds (distance) C4'-P energy: -111.234 bonds (distance) P-C4' energy: -101.136 flat angles C4'-P-C4' energy: -86.815 flat angles P-C4'-P energy: -66.667 tors. eta vs tors. theta energy: 7.705 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: 6 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -532.653030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.653030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.653030 (E_RNA) where: Base-Base interactions energy: -196.184 where: short stacking energy: -153.636 Base-Backbone interact. energy: -1.172 local terms energy: -335.296696 where: bonds (distance) C4'-P energy: -94.742 bonds (distance) P-C4' energy: -87.597 flat angles C4'-P-C4' energy: -102.965 flat angles P-C4'-P energy: -65.149 tors. eta vs tors. theta energy: 15.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -539.283197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.283197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.283197 (E_RNA) where: Base-Base interactions energy: -215.059 where: short stacking energy: -142.484 Base-Backbone interact. energy: 1.130 local terms energy: -325.354653 where: bonds (distance) C4'-P energy: -95.557 bonds (distance) P-C4' energy: -96.736 flat angles C4'-P-C4' energy: -91.399 flat angles P-C4'-P energy: -44.817 tors. eta vs tors. theta energy: 3.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1582.193150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.193150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.193150 (E_RNA) where: Base-Base interactions energy: -995.966 where: short stacking energy: -506.138 Base-Backbone interact. energy: -0.338 local terms energy: -585.889654 where: bonds (distance) C4'-P energy: -119.852 bonds (distance) P-C4' energy: -116.486 flat angles C4'-P-C4' energy: -127.692 flat angles P-C4'-P energy: -86.324 tors. eta vs tors. theta energy: -135.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1580.157240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.157240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.157240 (E_RNA) where: Base-Base interactions energy: -1023.241 where: short stacking energy: -461.004 Base-Backbone interact. energy: -1.311 local terms energy: -555.604515 where: bonds (distance) C4'-P energy: -121.459 bonds (distance) P-C4' energy: -120.901 flat angles C4'-P-C4' energy: -119.535 flat angles P-C4'-P energy: -77.658 tors. eta vs tors. theta energy: -116.051 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: 15 Temperature: 1.000000 Total energy: -1361.227845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.227845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.227845 (E_RNA) where: Base-Base interactions energy: -802.972 where: short stacking energy: -430.296 Base-Backbone interact. energy: -0.877 local terms energy: -557.378970 where: bonds (distance) C4'-P energy: -127.459 bonds (distance) P-C4' energy: -119.155 flat angles C4'-P-C4' energy: -121.779 flat angles P-C4'-P energy: -69.401 tors. eta vs tors. theta energy: -119.584 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: 1 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1151.660462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.660462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.660462 (E_RNA) where: Base-Base interactions energy: -656.894 where: short stacking energy: -347.013 Base-Backbone interact. energy: -1.205 local terms energy: -493.561625 where: bonds (distance) C4'-P energy: -109.368 bonds (distance) P-C4' energy: -118.579 flat angles C4'-P-C4' energy: -113.830 flat angles P-C4'-P energy: -68.130 tors. eta vs tors. theta energy: -83.655 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: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1013.386702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.386702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.386702 (E_RNA) where: Base-Base interactions energy: -541.277 where: short stacking energy: -280.179 Base-Backbone interact. energy: -1.353 local terms energy: -470.756604 where: bonds (distance) C4'-P energy: -110.355 bonds (distance) P-C4' energy: -122.295 flat angles C4'-P-C4' energy: -117.779 flat angles P-C4'-P energy: -64.989 tors. eta vs tors. theta energy: -55.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -965.920987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.920987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.920987 (E_RNA) where: Base-Base interactions energy: -521.600 where: short stacking energy: -275.152 Base-Backbone interact. energy: -2.435 local terms energy: -441.886593 where: bonds (distance) C4'-P energy: -93.454 bonds (distance) P-C4' energy: -115.248 flat angles C4'-P-C4' energy: -115.492 flat angles P-C4'-P energy: -67.876 tors. eta vs tors. theta energy: -49.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -634.563251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.563251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.563251 (E_RNA) where: Base-Base interactions energy: -265.625 where: short stacking energy: -191.128 Base-Backbone interact. energy: -3.465 local terms energy: -365.472387 where: bonds (distance) C4'-P energy: -108.005 bonds (distance) P-C4' energy: -111.504 flat angles C4'-P-C4' energy: -90.740 flat angles P-C4'-P energy: -42.108 tors. eta vs tors. theta energy: -13.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -612.001137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.001137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.001137 (E_RNA) where: Base-Base interactions energy: -231.036 where: short stacking energy: -152.157 Base-Backbone interact. energy: 1.760 local terms energy: -382.725042 where: bonds (distance) C4'-P energy: -107.232 bonds (distance) P-C4' energy: -122.058 flat angles C4'-P-C4' energy: -97.480 flat angles P-C4'-P energy: -49.341 tors. eta vs tors. theta energy: -6.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -506.764268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.764268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.764268 (E_RNA) where: Base-Base interactions energy: -188.150 where: short stacking energy: -136.661 Base-Backbone interact. energy: -0.765 local terms energy: -317.849410 where: bonds (distance) C4'-P energy: -98.934 bonds (distance) P-C4' energy: -97.737 flat angles C4'-P-C4' energy: -83.195 flat angles P-C4'-P energy: -56.029 tors. eta vs tors. theta energy: 18.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -518.685920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.685920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.685920 (E_RNA) where: Base-Base interactions energy: -183.510 where: short stacking energy: -166.020 Base-Backbone interact. energy: 2.022 local terms energy: -337.198024 where: bonds (distance) C4'-P energy: -119.252 bonds (distance) P-C4' energy: -86.394 flat angles C4'-P-C4' energy: -90.019 flat angles P-C4'-P energy: -32.046 tors. eta vs tors. theta energy: -9.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1661.589307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.589307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.589307 (E_RNA) where: Base-Base interactions energy: -1081.007 where: short stacking energy: -497.126 Base-Backbone interact. energy: -1.400 local terms energy: -579.182159 where: bonds (distance) C4'-P energy: -122.227 bonds (distance) P-C4' energy: -125.585 flat angles C4'-P-C4' energy: -127.571 flat angles P-C4'-P energy: -74.685 tors. eta vs tors. theta energy: -129.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1534.464770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.464770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.464770 (E_RNA) where: Base-Base interactions energy: -970.958 where: short stacking energy: -450.115 Base-Backbone interact. energy: -3.076 local terms energy: -560.431184 where: bonds (distance) C4'-P energy: -102.432 bonds (distance) P-C4' energy: -123.767 flat angles C4'-P-C4' energy: -130.261 flat angles P-C4'-P energy: -76.763 tors. eta vs tors. theta energy: -127.208 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: 16 Temperature: 1.000000 Total energy: -1367.213991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.213991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.213991 (E_RNA) where: Base-Base interactions energy: -816.997 where: short stacking energy: -426.603 Base-Backbone interact. energy: 1.730 local terms energy: -551.947061 where: bonds (distance) C4'-P energy: -101.637 bonds (distance) P-C4' energy: -131.754 flat angles C4'-P-C4' energy: -136.650 flat angles P-C4'-P energy: -77.954 tors. eta vs tors. theta energy: -103.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1184.344099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.344099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.344099 (E_RNA) where: Base-Base interactions energy: -701.491 where: short stacking energy: -348.824 Base-Backbone interact. energy: -3.858 local terms energy: -478.994902 where: bonds (distance) C4'-P energy: -108.528 bonds (distance) P-C4' energy: -114.130 flat angles C4'-P-C4' energy: -118.272 flat angles P-C4'-P energy: -67.353 tors. eta vs tors. theta energy: -70.712 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: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -987.940193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.940193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.940193 (E_RNA) where: Base-Base interactions energy: -568.410 where: short stacking energy: -283.876 Base-Backbone interact. energy: 0.145 local terms energy: -419.675057 where: bonds (distance) C4'-P energy: -104.780 bonds (distance) P-C4' energy: -120.405 flat angles C4'-P-C4' energy: -94.803 flat angles P-C4'-P energy: -69.884 tors. eta vs tors. theta energy: -29.803 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: 6, replica: 3 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -946.653155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.653155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.653155 (E_RNA) where: Base-Base interactions energy: -504.792 where: short stacking energy: -293.429 Base-Backbone interact. energy: 0.330 local terms energy: -442.190941 where: bonds (distance) C4'-P energy: -103.883 bonds (distance) P-C4' energy: -103.688 flat angles C4'-P-C4' energy: -111.295 flat angles P-C4'-P energy: -77.196 tors. eta vs tors. theta energy: -46.129 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: 16 Temperature: 1.200000 Total energy: -733.987993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.987993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.987993 (E_RNA) where: Base-Base interactions energy: -348.717 where: short stacking energy: -229.786 Base-Backbone interact. energy: 1.625 local terms energy: -386.895983 where: bonds (distance) C4'-P energy: -114.340 bonds (distance) P-C4' energy: -87.668 flat angles C4'-P-C4' energy: -109.440 flat angles P-C4'-P energy: -53.807 tors. eta vs tors. theta energy: -21.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -543.129887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.129887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.129887 (E_RNA) where: Base-Base interactions energy: -194.869 where: short stacking energy: -163.402 Base-Backbone interact. energy: -0.299 local terms energy: -347.961373 where: bonds (distance) C4'-P energy: -109.642 bonds (distance) P-C4' energy: -111.868 flat angles C4'-P-C4' energy: -83.581 flat angles P-C4'-P energy: -49.705 tors. eta vs tors. theta energy: 6.835 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: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -496.627210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.627210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.627210 (E_RNA) where: Base-Base interactions energy: -196.116 where: short stacking energy: -150.828 Base-Backbone interact. energy: -0.124 local terms energy: -300.387316 where: bonds (distance) C4'-P energy: -74.219 bonds (distance) P-C4' energy: -99.074 flat angles C4'-P-C4' energy: -77.297 flat angles P-C4'-P energy: -50.119 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: 10, replica: 6 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -466.254809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.254809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.254809 (E_RNA) where: Base-Base interactions energy: -157.150 where: short stacking energy: -143.508 Base-Backbone interact. energy: -0.103 local terms energy: -309.002511 where: bonds (distance) C4'-P energy: -94.384 bonds (distance) P-C4' energy: -112.665 flat angles C4'-P-C4' energy: -77.897 flat angles P-C4'-P energy: -54.823 tors. eta vs tors. theta energy: 30.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1656.946097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.946097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.946097 (E_RNA) where: Base-Base interactions energy: -1049.649 where: short stacking energy: -495.071 Base-Backbone interact. energy: -2.288 local terms energy: -605.009945 where: bonds (distance) C4'-P energy: -121.349 bonds (distance) P-C4' energy: -123.345 flat angles C4'-P-C4' energy: -136.308 flat angles P-C4'-P energy: -77.836 tors. eta vs tors. theta energy: -146.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1478.406606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.406606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.406606 (E_RNA) where: Base-Base interactions energy: -868.176 where: short stacking energy: -453.678 Base-Backbone interact. energy: -2.040 local terms energy: -608.190800 where: bonds (distance) C4'-P energy: -126.381 bonds (distance) P-C4' energy: -127.058 flat angles C4'-P-C4' energy: -146.947 flat angles P-C4'-P energy: -83.211 tors. eta vs tors. theta energy: -124.594 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: 17 Temperature: 1.000000 Total energy: -1404.856625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.856625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.856625 (E_RNA) where: Base-Base interactions energy: -865.809 where: short stacking energy: -407.858 Base-Backbone interact. energy: 1.952 local terms energy: -540.999681 where: bonds (distance) C4'-P energy: -116.441 bonds (distance) P-C4' energy: -117.379 flat angles C4'-P-C4' energy: -118.780 flat angles P-C4'-P energy: -80.254 tors. eta vs tors. theta energy: -108.146 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: 4, replica: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1225.846725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.846725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.846725 (E_RNA) where: Base-Base interactions energy: -721.922 where: short stacking energy: -367.207 Base-Backbone interact. energy: -3.550 local terms energy: -500.374072 where: bonds (distance) C4'-P energy: -93.360 bonds (distance) P-C4' energy: -110.886 flat angles C4'-P-C4' energy: -124.695 flat angles P-C4'-P energy: -86.868 tors. eta vs tors. theta energy: -84.565 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: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1075.984146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.984146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.984146 (E_RNA) where: Base-Base interactions energy: -607.440 where: short stacking energy: -319.969 Base-Backbone interact. energy: 2.703 local terms energy: -471.247822 where: bonds (distance) C4'-P energy: -111.093 bonds (distance) P-C4' energy: -120.363 flat angles C4'-P-C4' energy: -106.569 flat angles P-C4'-P energy: -70.618 tors. eta vs tors. theta energy: -62.604 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: 3 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1010.201495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.201495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.201495 (E_RNA) where: Base-Base interactions energy: -538.514 where: short stacking energy: -287.124 Base-Backbone interact. energy: 2.313 local terms energy: -473.999797 where: bonds (distance) C4'-P energy: -123.002 bonds (distance) P-C4' energy: -123.576 flat angles C4'-P-C4' energy: -118.439 flat angles P-C4'-P energy: -51.449 tors. eta vs tors. theta energy: -57.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -728.115835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.115835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.115835 (E_RNA) where: Base-Base interactions energy: -325.152 where: short stacking energy: -219.279 Base-Backbone interact. energy: 2.977 local terms energy: -405.940773 where: bonds (distance) C4'-P energy: -117.643 bonds (distance) P-C4' energy: -94.456 flat angles C4'-P-C4' energy: -108.286 flat angles P-C4'-P energy: -56.664 tors. eta vs tors. theta energy: -28.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -554.236300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.236300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.236300 (E_RNA) where: Base-Base interactions energy: -185.738 where: short stacking energy: -149.004 Base-Backbone interact. energy: 4.001 local terms energy: -372.499866 where: bonds (distance) C4'-P energy: -105.660 bonds (distance) P-C4' energy: -107.590 flat angles C4'-P-C4' energy: -94.356 flat angles P-C4'-P energy: -60.881 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -508.004304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.004304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.004304 (E_RNA) where: Base-Base interactions energy: -181.570 where: short stacking energy: -122.521 Base-Backbone interact. energy: -5.918 local terms energy: -320.516145 where: bonds (distance) C4'-P energy: -102.125 bonds (distance) P-C4' energy: -110.563 flat angles C4'-P-C4' energy: -84.383 flat angles P-C4'-P energy: -45.750 tors. eta vs tors. theta energy: 22.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -477.117891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.117891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.117891 (E_RNA) where: Base-Base interactions energy: -184.051 where: short stacking energy: -118.881 Base-Backbone interact. energy: -0.337 local terms energy: -292.729562 where: bonds (distance) C4'-P energy: -95.848 bonds (distance) P-C4' energy: -112.548 flat angles C4'-P-C4' energy: -72.126 flat angles P-C4'-P energy: -24.102 tors. eta vs tors. theta energy: 11.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1702.214125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.214125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.214125 (E_RNA) where: Base-Base interactions energy: -1083.439 where: short stacking energy: -527.823 Base-Backbone interact. energy: -1.219 local terms energy: -617.555296 where: bonds (distance) C4'-P energy: -127.728 bonds (distance) P-C4' energy: -123.893 flat angles C4'-P-C4' energy: -124.155 flat angles P-C4'-P energy: -88.040 tors. eta vs tors. theta energy: -153.740 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: 2, replica: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1544.891267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.891267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.891267 (E_RNA) where: Base-Base interactions energy: -962.370 where: short stacking energy: -474.617 Base-Backbone interact. energy: -3.509 local terms energy: -579.012197 where: bonds (distance) C4'-P energy: -112.949 bonds (distance) P-C4' energy: -119.206 flat angles C4'-P-C4' energy: -121.911 flat angles P-C4'-P energy: -86.972 tors. eta vs tors. theta energy: -137.973 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: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1390.632730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.632730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.632730 (E_RNA) where: Base-Base interactions energy: -862.891 where: short stacking energy: -418.424 Base-Backbone interact. energy: -1.035 local terms energy: -526.707043 where: bonds (distance) C4'-P energy: -107.531 bonds (distance) P-C4' energy: -121.264 flat angles C4'-P-C4' energy: -122.202 flat angles P-C4'-P energy: -89.782 tors. eta vs tors. theta energy: -85.927 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: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1211.807219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.807219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.807219 (E_RNA) where: Base-Base interactions energy: -707.521 where: short stacking energy: -363.178 Base-Backbone interact. energy: 0.263 local terms energy: -504.548751 where: bonds (distance) C4'-P energy: -105.076 bonds (distance) P-C4' energy: -121.801 flat angles C4'-P-C4' energy: -126.240 flat angles P-C4'-P energy: -71.263 tors. eta vs tors. theta energy: -80.168 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: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1027.174607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.174607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.174607 (E_RNA) where: Base-Base interactions energy: -576.160 where: short stacking energy: -303.890 Base-Backbone interact. energy: 0.613 local terms energy: -451.627657 where: bonds (distance) C4'-P energy: -104.327 bonds (distance) P-C4' energy: -101.480 flat angles C4'-P-C4' energy: -110.644 flat angles P-C4'-P energy: -78.765 tors. eta vs tors. theta energy: -56.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1005.282743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.282743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.282743 (E_RNA) where: Base-Base interactions energy: -550.551 where: short stacking energy: -276.555 Base-Backbone interact. energy: -4.093 local terms energy: -450.638251 where: bonds (distance) C4'-P energy: -108.670 bonds (distance) P-C4' energy: -114.853 flat angles C4'-P-C4' energy: -109.095 flat angles P-C4'-P energy: -73.506 tors. eta vs tors. theta energy: -44.514 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: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -751.322398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.322398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.322398 (E_RNA) where: Base-Base interactions energy: -388.192 where: short stacking energy: -200.186 Base-Backbone interact. energy: -1.366 local terms energy: -361.765166 where: bonds (distance) C4'-P energy: -118.357 bonds (distance) P-C4' energy: -92.571 flat angles C4'-P-C4' energy: -84.712 flat angles P-C4'-P energy: -46.138 tors. eta vs tors. theta energy: -19.988 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: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -552.052890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.052890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.052890 (E_RNA) where: Base-Base interactions energy: -220.011 where: short stacking energy: -179.688 Base-Backbone interact. energy: 6.800 local terms energy: -338.841050 where: bonds (distance) C4'-P energy: -92.453 bonds (distance) P-C4' energy: -110.485 flat angles C4'-P-C4' energy: -97.154 flat angles P-C4'-P energy: -49.558 tors. eta vs tors. theta energy: 10.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -579.761265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.761265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.761265 (E_RNA) where: Base-Base interactions energy: -233.288 where: short stacking energy: -153.305 Base-Backbone interact. energy: -2.655 local terms energy: -343.817987 where: bonds (distance) C4'-P energy: -102.586 bonds (distance) P-C4' energy: -100.624 flat angles C4'-P-C4' energy: -109.274 flat angles P-C4'-P energy: -55.115 tors. eta vs tors. theta energy: 23.780 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: 6 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -496.165249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.165249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.165249 (E_RNA) where: Base-Base interactions energy: -158.962 where: short stacking energy: -134.273 Base-Backbone interact. energy: -2.359 local terms energy: -334.844581 where: bonds (distance) C4'-P energy: -84.728 bonds (distance) P-C4' energy: -107.693 flat angles C4'-P-C4' energy: -91.332 flat angles P-C4'-P energy: -58.205 tors. eta vs tors. theta energy: 7.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1725.093931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.093931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.093931 (E_RNA) where: Base-Base interactions energy: -1131.411 where: short stacking energy: -551.970 Base-Backbone interact. energy: -0.407 local terms energy: -593.275807 where: bonds (distance) C4'-P energy: -110.823 bonds (distance) P-C4' energy: -114.550 flat angles C4'-P-C4' energy: -139.388 flat angles P-C4'-P energy: -81.715 tors. eta vs tors. theta energy: -146.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1536.879514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.879514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.879514 (E_RNA) where: Base-Base interactions energy: -978.217 where: short stacking energy: -440.407 Base-Backbone interact. energy: -0.453 local terms energy: -558.210341 where: bonds (distance) C4'-P energy: -113.470 bonds (distance) P-C4' energy: -116.735 flat angles C4'-P-C4' energy: -121.277 flat angles P-C4'-P energy: -86.901 tors. eta vs tors. theta energy: -119.828 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: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1393.770759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.770759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.770759 (E_RNA) where: Base-Base interactions energy: -879.028 where: short stacking energy: -404.914 Base-Backbone interact. energy: -2.119 local terms energy: -512.623648 where: bonds (distance) C4'-P energy: -107.299 bonds (distance) P-C4' energy: -122.699 flat angles C4'-P-C4' energy: -122.711 flat angles P-C4'-P energy: -72.113 tors. eta vs tors. theta energy: -87.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1228.629040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.629040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.629040 (E_RNA) where: Base-Base interactions energy: -738.906 where: short stacking energy: -355.833 Base-Backbone interact. energy: 0.309 local terms energy: -490.031801 where: bonds (distance) C4'-P energy: -105.021 bonds (distance) P-C4' energy: -109.663 flat angles C4'-P-C4' energy: -123.491 flat angles P-C4'-P energy: -65.334 tors. eta vs tors. theta energy: -86.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1085.293293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.293293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.293293 (E_RNA) where: Base-Base interactions energy: -632.327 where: short stacking energy: -337.843 Base-Backbone interact. energy: -1.712 local terms energy: -451.254617 where: bonds (distance) C4'-P energy: -101.868 bonds (distance) P-C4' energy: -107.172 flat angles C4'-P-C4' energy: -108.734 flat angles P-C4'-P energy: -61.414 tors. eta vs tors. theta energy: -72.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1016.164562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.164562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.164562 (E_RNA) where: Base-Base interactions energy: -563.509 where: short stacking energy: -285.059 Base-Backbone interact. energy: -0.896 local terms energy: -451.759380 where: bonds (distance) C4'-P energy: -115.219 bonds (distance) P-C4' energy: -121.225 flat angles C4'-P-C4' energy: -103.528 flat angles P-C4'-P energy: -57.276 tors. eta vs tors. theta energy: -54.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -735.262185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.262185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.262185 (E_RNA) where: Base-Base interactions energy: -351.177 where: short stacking energy: -195.735 Base-Backbone interact. energy: -1.196 local terms energy: -382.889359 where: bonds (distance) C4'-P energy: -88.854 bonds (distance) P-C4' energy: -125.550 flat angles C4'-P-C4' energy: -93.517 flat angles P-C4'-P energy: -65.717 tors. eta vs tors. theta energy: -9.252 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: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -597.959369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.959369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.959369 (E_RNA) where: Base-Base interactions energy: -264.851 where: short stacking energy: -192.320 Base-Backbone interact. energy: -1.634 local terms energy: -331.474656 where: bonds (distance) C4'-P energy: -106.471 bonds (distance) P-C4' energy: -99.933 flat angles C4'-P-C4' energy: -73.517 flat angles P-C4'-P energy: -57.868 tors. eta vs tors. theta energy: 6.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -532.649116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.649116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.649116 (E_RNA) where: Base-Base interactions energy: -214.243 where: short stacking energy: -134.068 Base-Backbone interact. energy: 0.438 local terms energy: -318.844586 where: bonds (distance) C4'-P energy: -92.071 bonds (distance) P-C4' energy: -125.289 flat angles C4'-P-C4' energy: -87.268 flat angles P-C4'-P energy: -36.976 tors. eta vs tors. theta energy: 22.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -477.396764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.396764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.396764 (E_RNA) where: Base-Base interactions energy: -177.558 where: short stacking energy: -135.252 Base-Backbone interact. energy: 0.404 local terms energy: -300.243359 where: bonds (distance) C4'-P energy: -86.877 bonds (distance) P-C4' energy: -100.733 flat angles C4'-P-C4' energy: -89.740 flat angles P-C4'-P energy: -45.442 tors. eta vs tors. theta energy: 22.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1729.808828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.808828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.808828 (E_RNA) where: Base-Base interactions energy: -1102.954 where: short stacking energy: -517.525 Base-Backbone interact. energy: -3.596 local terms energy: -623.259351 where: bonds (distance) C4'-P energy: -127.450 bonds (distance) P-C4' energy: -116.963 flat angles C4'-P-C4' energy: -132.397 flat angles P-C4'-P energy: -91.292 tors. eta vs tors. theta energy: -155.158 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: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1581.398423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.398423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.398423 (E_RNA) where: Base-Base interactions energy: -1023.853 where: short stacking energy: -491.738 Base-Backbone interact. energy: -1.621 local terms energy: -555.924360 where: bonds (distance) C4'-P energy: -116.027 bonds (distance) P-C4' energy: -114.088 flat angles C4'-P-C4' energy: -120.029 flat angles P-C4'-P energy: -70.279 tors. eta vs tors. theta energy: -135.502 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: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1391.843468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.843468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.843468 (E_RNA) where: Base-Base interactions energy: -863.055 where: short stacking energy: -413.534 Base-Backbone interact. energy: -3.998 local terms energy: -524.790423 where: bonds (distance) C4'-P energy: -103.863 bonds (distance) P-C4' energy: -127.873 flat angles C4'-P-C4' energy: -113.327 flat angles P-C4'-P energy: -81.599 tors. eta vs tors. theta energy: -98.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1269.784838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.784838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.784838 (E_RNA) where: Base-Base interactions energy: -777.872 where: short stacking energy: -398.312 Base-Backbone interact. energy: -1.078 local terms energy: -490.834178 where: bonds (distance) C4'-P energy: -102.706 bonds (distance) P-C4' energy: -116.093 flat angles C4'-P-C4' energy: -119.136 flat angles P-C4'-P energy: -66.696 tors. eta vs tors. theta energy: -86.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1084.563356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.563356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.563356 (E_RNA) where: Base-Base interactions energy: -599.814 where: short stacking energy: -307.932 Base-Backbone interact. energy: -0.638 local terms energy: -484.111331 where: bonds (distance) C4'-P energy: -117.519 bonds (distance) P-C4' energy: -113.580 flat angles C4'-P-C4' energy: -111.401 flat angles P-C4'-P energy: -65.875 tors. eta vs tors. theta energy: -75.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1010.192680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.192680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.192680 (E_RNA) where: Base-Base interactions energy: -603.657 where: short stacking energy: -293.785 Base-Backbone interact. energy: -2.603 local terms energy: -403.933175 where: bonds (distance) C4'-P energy: -108.959 bonds (distance) P-C4' energy: -100.857 flat angles C4'-P-C4' energy: -99.868 flat angles P-C4'-P energy: -56.644 tors. eta vs tors. theta energy: -37.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -719.377873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.377873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.377873 (E_RNA) where: Base-Base interactions energy: -333.330 where: short stacking energy: -184.520 Base-Backbone interact. energy: 4.315 local terms energy: -390.363432 where: bonds (distance) C4'-P energy: -125.014 bonds (distance) P-C4' energy: -106.895 flat angles C4'-P-C4' energy: -94.611 flat angles P-C4'-P energy: -65.327 tors. eta vs tors. theta energy: 1.484 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: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -629.953815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.953815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.953815 (E_RNA) where: Base-Base interactions energy: -263.684 where: short stacking energy: -172.751 Base-Backbone interact. energy: -2.260 local terms energy: -364.009754 where: bonds (distance) C4'-P energy: -103.352 bonds (distance) P-C4' energy: -92.535 flat angles C4'-P-C4' energy: -91.784 flat angles P-C4'-P energy: -75.350 tors. eta vs tors. theta energy: -0.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -613.382334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.382334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.382334 (E_RNA) where: Base-Base interactions energy: -279.688 where: short stacking energy: -169.484 Base-Backbone interact. energy: 4.236 local terms energy: -337.930863 where: bonds (distance) C4'-P energy: -94.165 bonds (distance) P-C4' energy: -110.766 flat angles C4'-P-C4' energy: -90.620 flat angles P-C4'-P energy: -50.305 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: 6 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -493.931840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.931840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.931840 (E_RNA) where: Base-Base interactions energy: -183.087 where: short stacking energy: -134.921 Base-Backbone interact. energy: -3.210 local terms energy: -307.634272 where: bonds (distance) C4'-P energy: -105.015 bonds (distance) P-C4' energy: -100.872 flat angles C4'-P-C4' energy: -79.093 flat angles P-C4'-P energy: -42.069 tors. eta vs tors. theta energy: 19.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1757.799705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.799705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.799705 (E_RNA) where: Base-Base interactions energy: -1164.735 where: short stacking energy: -544.267 Base-Backbone interact. energy: 1.126 local terms energy: -594.190043 where: bonds (distance) C4'-P energy: -112.308 bonds (distance) P-C4' energy: -114.546 flat angles C4'-P-C4' energy: -119.834 flat angles P-C4'-P energy: -86.591 tors. eta vs tors. theta energy: -160.910 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: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1569.031013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.031013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.031013 (E_RNA) where: Base-Base interactions energy: -1014.768 where: short stacking energy: -469.971 Base-Backbone interact. energy: -0.815 local terms energy: -553.447932 where: bonds (distance) C4'-P energy: -123.085 bonds (distance) P-C4' energy: -101.426 flat angles C4'-P-C4' energy: -128.135 flat angles P-C4'-P energy: -68.563 tors. eta vs tors. theta energy: -132.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1414.159505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.159505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.159505 (E_RNA) where: Base-Base interactions energy: -895.131 where: short stacking energy: -422.224 Base-Backbone interact. energy: -1.615 local terms energy: -517.412991 where: bonds (distance) C4'-P energy: -116.514 bonds (distance) P-C4' energy: -120.503 flat angles C4'-P-C4' energy: -110.882 flat angles P-C4'-P energy: -78.648 tors. eta vs tors. theta energy: -90.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1358.049477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.049477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.049477 (E_RNA) where: Base-Base interactions energy: -856.712 where: short stacking energy: -413.754 Base-Backbone interact. energy: 1.264 local terms energy: -502.600929 where: bonds (distance) C4'-P energy: -115.217 bonds (distance) P-C4' energy: -91.998 flat angles C4'-P-C4' energy: -112.043 flat angles P-C4'-P energy: -80.390 tors. eta vs tors. theta energy: -102.954 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: 5, replica: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1178.917576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.917576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.917576 (E_RNA) where: Base-Base interactions energy: -663.880 where: short stacking energy: -367.891 Base-Backbone interact. energy: -1.354 local terms energy: -513.684172 where: bonds (distance) C4'-P energy: -119.786 bonds (distance) P-C4' energy: -120.495 flat angles C4'-P-C4' energy: -116.017 flat angles P-C4'-P energy: -78.316 tors. eta vs tors. theta energy: -79.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1127.834966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.834966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.834966 (E_RNA) where: Base-Base interactions energy: -649.929 where: short stacking energy: -310.437 Base-Backbone interact. energy: -2.227 local terms energy: -475.679125 where: bonds (distance) C4'-P energy: -114.964 bonds (distance) P-C4' energy: -107.949 flat angles C4'-P-C4' energy: -115.879 flat angles P-C4'-P energy: -69.314 tors. eta vs tors. theta energy: -67.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -698.472088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.472088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.472088 (E_RNA) where: Base-Base interactions energy: -307.779 where: short stacking energy: -199.216 Base-Backbone interact. energy: -1.441 local terms energy: -389.252290 where: bonds (distance) C4'-P energy: -100.634 bonds (distance) P-C4' energy: -104.604 flat angles C4'-P-C4' energy: -103.067 flat angles P-C4'-P energy: -81.653 tors. eta vs tors. theta energy: 0.706 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: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -662.892137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.892137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.892137 (E_RNA) where: Base-Base interactions energy: -322.313 where: short stacking energy: -188.060 Base-Backbone interact. energy: -0.210 local terms energy: -340.369514 where: bonds (distance) C4'-P energy: -101.707 bonds (distance) P-C4' energy: -96.615 flat angles C4'-P-C4' energy: -88.230 flat angles P-C4'-P energy: -50.694 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -564.377957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.377957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.377957 (E_RNA) where: Base-Base interactions energy: -253.643 where: short stacking energy: -161.056 Base-Backbone interact. energy: 2.347 local terms energy: -313.081593 where: bonds (distance) C4'-P energy: -96.308 bonds (distance) P-C4' energy: -106.422 flat angles C4'-P-C4' energy: -81.099 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: 17.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -502.016375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.016375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.016375 (E_RNA) where: Base-Base interactions energy: -180.395 where: short stacking energy: -145.598 Base-Backbone interact. energy: -0.588 local terms energy: -321.033393 where: bonds (distance) C4'-P energy: -89.884 bonds (distance) P-C4' energy: -115.158 flat angles C4'-P-C4' energy: -80.958 flat angles P-C4'-P energy: -44.858 tors. eta vs tors. theta energy: 9.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1747.071856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.071856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.071856 (E_RNA) where: Base-Base interactions energy: -1124.442 where: short stacking energy: -523.082 Base-Backbone interact. energy: -2.231 local terms energy: -620.398604 where: bonds (distance) C4'-P energy: -129.154 bonds (distance) P-C4' energy: -114.972 flat angles C4'-P-C4' energy: -127.120 flat angles P-C4'-P energy: -91.210 tors. eta vs tors. theta energy: -157.942 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: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1638.284902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.284902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.284902 (E_RNA) where: Base-Base interactions energy: -1051.991 where: short stacking energy: -460.470 Base-Backbone interact. energy: -3.115 local terms energy: -583.179120 where: bonds (distance) C4'-P energy: -110.214 bonds (distance) P-C4' energy: -123.735 flat angles C4'-P-C4' energy: -138.915 flat angles P-C4'-P energy: -92.802 tors. eta vs tors. theta energy: -117.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1440.226950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.226950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.226950 (E_RNA) where: Base-Base interactions energy: -924.003 where: short stacking energy: -428.755 Base-Backbone interact. energy: 0.724 local terms energy: -516.947785 where: bonds (distance) C4'-P energy: -100.100 bonds (distance) P-C4' energy: -112.859 flat angles C4'-P-C4' energy: -131.838 flat angles P-C4'-P energy: -77.202 tors. eta vs tors. theta energy: -94.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1372.812383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.812383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.812383 (E_RNA) where: Base-Base interactions energy: -843.521 where: short stacking energy: -393.725 Base-Backbone interact. energy: -1.236 local terms energy: -528.055481 where: bonds (distance) C4'-P energy: -104.736 bonds (distance) P-C4' energy: -124.480 flat angles C4'-P-C4' energy: -124.504 flat angles P-C4'-P energy: -67.264 tors. eta vs tors. theta energy: -107.071 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: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1145.365883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.365883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.365883 (E_RNA) where: Base-Base interactions energy: -664.294 where: short stacking energy: -323.658 Base-Backbone interact. energy: -2.399 local terms energy: -478.672239 where: bonds (distance) C4'-P energy: -123.229 bonds (distance) P-C4' energy: -106.548 flat angles C4'-P-C4' energy: -106.488 flat angles P-C4'-P energy: -67.624 tors. eta vs tors. theta energy: -74.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1031.989329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.989329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.989329 (E_RNA) where: Base-Base interactions energy: -609.542 where: short stacking energy: -285.623 Base-Backbone interact. energy: 0.844 local terms energy: -423.291181 where: bonds (distance) C4'-P energy: -103.526 bonds (distance) P-C4' energy: -96.770 flat angles C4'-P-C4' energy: -96.592 flat angles P-C4'-P energy: -75.882 tors. eta vs tors. theta energy: -50.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -739.474987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.474987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.474987 (E_RNA) where: Base-Base interactions energy: -350.901 where: short stacking energy: -192.795 Base-Backbone interact. energy: 1.309 local terms energy: -389.882581 where: bonds (distance) C4'-P energy: -116.059 bonds (distance) P-C4' energy: -107.179 flat angles C4'-P-C4' energy: -87.714 flat angles P-C4'-P energy: -63.299 tors. eta vs tors. theta energy: -15.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -578.982875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.982875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.982875 (E_RNA) where: Base-Base interactions energy: -245.035 where: short stacking energy: -167.732 Base-Backbone interact. energy: 5.730 local terms energy: -339.677285 where: bonds (distance) C4'-P energy: -97.007 bonds (distance) P-C4' energy: -105.822 flat angles C4'-P-C4' energy: -87.292 flat angles P-C4'-P energy: -59.173 tors. eta vs tors. theta energy: 9.617 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: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -564.760023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.760023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.760023 (E_RNA) where: Base-Base interactions energy: -206.772 where: short stacking energy: -150.681 Base-Backbone interact. energy: 5.093 local terms energy: -363.080660 where: bonds (distance) C4'-P energy: -100.281 bonds (distance) P-C4' energy: -113.127 flat angles C4'-P-C4' energy: -96.847 flat angles P-C4'-P energy: -59.222 tors. eta vs tors. theta energy: 6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -477.586160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.586160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.586160 (E_RNA) where: Base-Base interactions energy: -167.488 where: short stacking energy: -109.446 Base-Backbone interact. energy: -1.001 local terms energy: -309.097180 where: bonds (distance) C4'-P energy: -98.679 bonds (distance) P-C4' energy: -100.288 flat angles C4'-P-C4' energy: -96.994 flat angles P-C4'-P energy: -41.278 tors. eta vs tors. theta energy: 28.143 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: 1, replica: 10 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1756.338906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.338906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.338906 (E_RNA) where: Base-Base interactions energy: -1143.459 where: short stacking energy: -515.034 Base-Backbone interact. energy: -1.881 local terms energy: -610.998672 where: bonds (distance) C4'-P energy: -114.791 bonds (distance) P-C4' energy: -122.296 flat angles C4'-P-C4' energy: -139.164 flat angles P-C4'-P energy: -90.221 tors. eta vs tors. theta energy: -144.525 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: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1678.899154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.899154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.899154 (E_RNA) where: Base-Base interactions energy: -1091.767 where: short stacking energy: -490.560 Base-Backbone interact. energy: -3.359 local terms energy: -583.773887 where: bonds (distance) C4'-P energy: -115.815 bonds (distance) P-C4' energy: -118.465 flat angles C4'-P-C4' energy: -124.954 flat angles P-C4'-P energy: -88.495 tors. eta vs tors. theta energy: -136.045 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: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1456.873954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.873954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.873954 (E_RNA) where: Base-Base interactions energy: -919.518 where: short stacking energy: -445.380 Base-Backbone interact. energy: -1.781 local terms energy: -535.574971 where: bonds (distance) C4'-P energy: -124.722 bonds (distance) P-C4' energy: -101.058 flat angles C4'-P-C4' energy: -129.238 flat angles P-C4'-P energy: -68.776 tors. eta vs tors. theta energy: -111.782 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: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1385.073435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.073435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.073435 (E_RNA) where: Base-Base interactions energy: -850.187 where: short stacking energy: -391.518 Base-Backbone interact. energy: 2.400 local terms energy: -537.286886 where: bonds (distance) C4'-P energy: -101.579 bonds (distance) P-C4' energy: -120.312 flat angles C4'-P-C4' energy: -121.468 flat angles P-C4'-P energy: -84.098 tors. eta vs tors. theta energy: -109.831 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: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1151.268144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.268144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.268144 (E_RNA) where: Base-Base interactions energy: -697.645 where: short stacking energy: -387.869 Base-Backbone interact. energy: 2.813 local terms energy: -456.435424 where: bonds (distance) C4'-P energy: -104.674 bonds (distance) P-C4' energy: -104.015 flat angles C4'-P-C4' energy: -109.577 flat angles P-C4'-P energy: -49.212 tors. eta vs tors. theta energy: -88.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -994.460832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.460832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.460832 (E_RNA) where: Base-Base interactions energy: -577.672 where: short stacking energy: -298.475 Base-Backbone interact. energy: 0.223 local terms energy: -417.012241 where: bonds (distance) C4'-P energy: -97.676 bonds (distance) P-C4' energy: -107.161 flat angles C4'-P-C4' energy: -101.771 flat angles P-C4'-P energy: -63.332 tors. eta vs tors. theta energy: -47.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -808.573571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.573571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.573571 (E_RNA) where: Base-Base interactions energy: -440.964 where: short stacking energy: -226.801 Base-Backbone interact. energy: 0.684 local terms energy: -368.294505 where: bonds (distance) C4'-P energy: -107.007 bonds (distance) P-C4' energy: -103.317 flat angles C4'-P-C4' energy: -75.275 flat angles P-C4'-P energy: -68.856 tors. eta vs tors. theta energy: -13.840 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: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -623.337175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.337175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.337175 (E_RNA) where: Base-Base interactions energy: -272.105 where: short stacking energy: -196.100 Base-Backbone interact. energy: 2.347 local terms energy: -353.579090 where: bonds (distance) C4'-P energy: -99.316 bonds (distance) P-C4' energy: -100.218 flat angles C4'-P-C4' energy: -84.550 flat angles P-C4'-P energy: -63.165 tors. eta vs tors. theta energy: -6.330 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: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -503.713997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.713997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.713997 (E_RNA) where: Base-Base interactions energy: -170.933 where: short stacking energy: -120.827 Base-Backbone interact. energy: -0.184 local terms energy: -332.596541 where: bonds (distance) C4'-P energy: -99.625 bonds (distance) P-C4' energy: -126.272 flat angles C4'-P-C4' energy: -94.705 flat angles P-C4'-P energy: -31.470 tors. eta vs tors. theta energy: 19.475 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: 6 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -535.309395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.309395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.309395 (E_RNA) where: Base-Base interactions energy: -207.975 where: short stacking energy: -140.569 Base-Backbone interact. energy: -2.488 local terms energy: -324.846095 where: bonds (distance) C4'-P energy: -88.547 bonds (distance) P-C4' energy: -96.794 flat angles C4'-P-C4' energy: -91.774 flat angles P-C4'-P energy: -51.960 tors. eta vs tors. theta energy: 4.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1771.296892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.296892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.296892 (E_RNA) where: Base-Base interactions energy: -1171.191 where: short stacking energy: -530.364 Base-Backbone interact. energy: -1.001 local terms energy: -599.104905 where: bonds (distance) C4'-P energy: -118.792 bonds (distance) P-C4' energy: -112.204 flat angles C4'-P-C4' energy: -137.793 flat angles P-C4'-P energy: -91.875 tors. eta vs tors. theta energy: -138.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1654.228837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.228837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.228837 (E_RNA) where: Base-Base interactions energy: -1092.152 where: short stacking energy: -486.443 Base-Backbone interact. energy: 4.077 local terms energy: -566.153747 where: bonds (distance) C4'-P energy: -108.373 bonds (distance) P-C4' energy: -111.029 flat angles C4'-P-C4' energy: -132.965 flat angles P-C4'-P energy: -87.477 tors. eta vs tors. theta energy: -126.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1446.274816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.274816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.274816 (E_RNA) where: Base-Base interactions energy: -881.512 where: short stacking energy: -429.859 Base-Backbone interact. energy: -2.997 local terms energy: -561.765227 where: bonds (distance) C4'-P energy: -124.267 bonds (distance) P-C4' energy: -130.958 flat angles C4'-P-C4' energy: -115.266 flat angles P-C4'-P energy: -82.800 tors. eta vs tors. theta energy: -108.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1399.363166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.363166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.363166 (E_RNA) where: Base-Base interactions energy: -855.104 where: short stacking energy: -394.584 Base-Backbone interact. energy: -2.436 local terms energy: -541.822956 where: bonds (distance) C4'-P energy: -108.148 bonds (distance) P-C4' energy: -127.908 flat angles C4'-P-C4' energy: -125.065 flat angles P-C4'-P energy: -80.790 tors. eta vs tors. theta energy: -99.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1106.172847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.172847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.172847 (E_RNA) where: Base-Base interactions energy: -645.654 where: short stacking energy: -323.198 Base-Backbone interact. energy: 1.560 local terms energy: -462.078506 where: bonds (distance) C4'-P energy: -107.769 bonds (distance) P-C4' energy: -107.963 flat angles C4'-P-C4' energy: -116.717 flat angles P-C4'-P energy: -55.655 tors. eta vs tors. theta energy: -73.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1030.392584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.392584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.392584 (E_RNA) where: Base-Base interactions energy: -614.572 where: short stacking energy: -335.712 Base-Backbone interact. energy: -0.895 local terms energy: -414.926313 where: bonds (distance) C4'-P energy: -88.837 bonds (distance) P-C4' energy: -103.319 flat angles C4'-P-C4' energy: -109.330 flat angles P-C4'-P energy: -51.324 tors. eta vs tors. theta energy: -62.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -734.936357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.936357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.936357 (E_RNA) where: Base-Base interactions energy: -364.569 where: short stacking energy: -193.603 Base-Backbone interact. energy: 2.490 local terms energy: -372.857585 where: bonds (distance) C4'-P energy: -103.330 bonds (distance) P-C4' energy: -106.461 flat angles C4'-P-C4' energy: -107.703 flat angles P-C4'-P energy: -59.859 tors. eta vs tors. theta energy: 4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -705.993293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.993293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.993293 (E_RNA) where: Base-Base interactions energy: -348.163 where: short stacking energy: -211.349 Base-Backbone interact. energy: -0.201 local terms energy: -357.629633 where: bonds (distance) C4'-P energy: -81.975 bonds (distance) P-C4' energy: -104.118 flat angles C4'-P-C4' energy: -98.643 flat angles P-C4'-P energy: -58.012 tors. eta vs tors. theta energy: -14.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -562.085827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.085827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.085827 (E_RNA) where: Base-Base interactions energy: -206.105 where: short stacking energy: -147.932 Base-Backbone interact. energy: -2.859 local terms energy: -353.121631 where: bonds (distance) C4'-P energy: -97.369 bonds (distance) P-C4' energy: -107.153 flat angles C4'-P-C4' energy: -100.016 flat angles P-C4'-P energy: -65.583 tors. eta vs tors. theta energy: 17.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -486.133987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.133987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.133987 (E_RNA) where: Base-Base interactions energy: -183.307 where: short stacking energy: -144.807 Base-Backbone interact. energy: -1.735 local terms energy: -301.091643 where: bonds (distance) C4'-P energy: -92.791 bonds (distance) P-C4' energy: -95.948 flat angles C4'-P-C4' energy: -75.216 flat angles P-C4'-P energy: -43.209 tors. eta vs tors. theta energy: 6.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1822.120102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.120102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.120102 (E_RNA) where: Base-Base interactions energy: -1224.435 where: short stacking energy: -543.507 Base-Backbone interact. energy: -2.137 local terms energy: -595.548508 where: bonds (distance) C4'-P energy: -116.605 bonds (distance) P-C4' energy: -110.222 flat angles C4'-P-C4' energy: -129.818 flat angles P-C4'-P energy: -85.900 tors. eta vs tors. theta energy: -153.003 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: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1704.664523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.664523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.664523 (E_RNA) where: Base-Base interactions energy: -1106.461 where: short stacking energy: -487.724 Base-Backbone interact. energy: -2.463 local terms energy: -595.740568 where: bonds (distance) C4'-P energy: -103.056 bonds (distance) P-C4' energy: -131.064 flat angles C4'-P-C4' energy: -134.963 flat angles P-C4'-P energy: -97.963 tors. eta vs tors. theta energy: -128.695 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: 3, replica: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1457.854554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.854554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.854554 (E_RNA) where: Base-Base interactions energy: -928.338 where: short stacking energy: -429.529 Base-Backbone interact. energy: -3.796 local terms energy: -525.720645 where: bonds (distance) C4'-P energy: -115.292 bonds (distance) P-C4' energy: -128.525 flat angles C4'-P-C4' energy: -116.641 flat angles P-C4'-P energy: -74.439 tors. eta vs tors. theta energy: -90.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1416.094848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.094848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.094848 (E_RNA) where: Base-Base interactions energy: -913.286 where: short stacking energy: -395.732 Base-Backbone interact. energy: 0.990 local terms energy: -503.798602 where: bonds (distance) C4'-P energy: -105.736 bonds (distance) P-C4' energy: -109.549 flat angles C4'-P-C4' energy: -121.348 flat angles P-C4'-P energy: -68.815 tors. eta vs tors. theta energy: -98.351 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: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1147.926139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.926139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.926139 (E_RNA) where: Base-Base interactions energy: -673.488 where: short stacking energy: -309.137 Base-Backbone interact. energy: -2.591 local terms energy: -471.846759 where: bonds (distance) C4'-P energy: -105.230 bonds (distance) P-C4' energy: -116.843 flat angles C4'-P-C4' energy: -103.393 flat angles P-C4'-P energy: -72.781 tors. eta vs tors. theta energy: -73.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1060.312919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.312919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.312919 (E_RNA) where: Base-Base interactions energy: -605.419 where: short stacking energy: -294.233 Base-Backbone interact. energy: -0.018 local terms energy: -454.876432 where: bonds (distance) C4'-P energy: -97.387 bonds (distance) P-C4' energy: -117.976 flat angles C4'-P-C4' energy: -108.311 flat angles P-C4'-P energy: -68.765 tors. eta vs tors. theta energy: -62.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -758.735616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.735616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.735616 (E_RNA) where: Base-Base interactions energy: -413.066 where: short stacking energy: -207.654 Base-Backbone interact. energy: 5.783 local terms energy: -351.452435 where: bonds (distance) C4'-P energy: -96.958 bonds (distance) P-C4' energy: -121.204 flat angles C4'-P-C4' energy: -99.203 flat angles P-C4'-P energy: -43.728 tors. eta vs tors. theta energy: 9.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -619.310644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.310644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.310644 (E_RNA) where: Base-Base interactions energy: -250.269 where: short stacking energy: -165.713 Base-Backbone interact. energy: -2.276 local terms energy: -366.764997 where: bonds (distance) C4'-P energy: -102.134 bonds (distance) P-C4' energy: -126.823 flat angles C4'-P-C4' energy: -83.955 flat angles P-C4'-P energy: -61.378 tors. eta vs tors. theta energy: 7.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -570.221039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.221039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.221039 (E_RNA) where: Base-Base interactions energy: -246.658 where: short stacking energy: -156.772 Base-Backbone interact. energy: 3.063 local terms energy: -326.626088 where: bonds (distance) C4'-P energy: -98.473 bonds (distance) P-C4' energy: -99.973 flat angles C4'-P-C4' energy: -83.938 flat angles P-C4'-P energy: -44.393 tors. eta vs tors. theta energy: 0.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -466.427351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.427351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.427351 (E_RNA) where: Base-Base interactions energy: -172.175 where: short stacking energy: -123.011 Base-Backbone interact. energy: -2.800 local terms energy: -291.452708 where: bonds (distance) C4'-P energy: -98.177 bonds (distance) P-C4' energy: -89.839 flat angles C4'-P-C4' energy: -86.019 flat angles P-C4'-P energy: -43.154 tors. eta vs tors. theta energy: 25.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1826.804102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.804102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.804102 (E_RNA) where: Base-Base interactions energy: -1192.432 where: short stacking energy: -560.709 Base-Backbone interact. energy: -2.307 local terms energy: -632.065074 where: bonds (distance) C4'-P energy: -128.678 bonds (distance) P-C4' energy: -124.516 flat angles C4'-P-C4' energy: -139.457 flat angles P-C4'-P energy: -84.337 tors. eta vs tors. theta energy: -155.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1690.923805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.923805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.923805 (E_RNA) where: Base-Base interactions energy: -1106.710 where: short stacking energy: -477.994 Base-Backbone interact. energy: 1.730 local terms energy: -585.943934 where: bonds (distance) C4'-P energy: -136.576 bonds (distance) P-C4' energy: -109.897 flat angles C4'-P-C4' energy: -127.836 flat angles P-C4'-P energy: -87.481 tors. eta vs tors. theta energy: -124.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1547.294868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.294868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.294868 (E_RNA) where: Base-Base interactions energy: -996.919 where: short stacking energy: -454.058 Base-Backbone interact. energy: -2.969 local terms energy: -547.406050 where: bonds (distance) C4'-P energy: -122.706 bonds (distance) P-C4' energy: -128.904 flat angles C4'-P-C4' energy: -126.821 flat angles P-C4'-P energy: -57.705 tors. eta vs tors. theta energy: -111.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1431.862531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.862531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.862531 (E_RNA) where: Base-Base interactions energy: -874.637 where: short stacking energy: -412.070 Base-Backbone interact. energy: -3.472 local terms energy: -553.752962 where: bonds (distance) C4'-P energy: -117.548 bonds (distance) P-C4' energy: -125.468 flat angles C4'-P-C4' energy: -125.464 flat angles P-C4'-P energy: -78.622 tors. eta vs tors. theta energy: -106.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1123.054649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.054649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.054649 (E_RNA) where: Base-Base interactions energy: -652.530 where: short stacking energy: -339.226 Base-Backbone interact. energy: -2.416 local terms energy: -468.108790 where: bonds (distance) C4'-P energy: -104.005 bonds (distance) P-C4' energy: -114.601 flat angles C4'-P-C4' energy: -104.320 flat angles P-C4'-P energy: -74.490 tors. eta vs tors. theta energy: -70.693 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: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1068.330655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.330655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.330655 (E_RNA) where: Base-Base interactions energy: -584.362 where: short stacking energy: -336.923 Base-Backbone interact. energy: -5.490 local terms energy: -478.478604 where: bonds (distance) C4'-P energy: -105.213 bonds (distance) P-C4' energy: -120.879 flat angles C4'-P-C4' energy: -116.414 flat angles P-C4'-P energy: -69.929 tors. eta vs tors. theta energy: -66.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -760.809279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.809279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.809279 (E_RNA) where: Base-Base interactions energy: -389.586 where: short stacking energy: -251.268 Base-Backbone interact. energy: 0.407 local terms energy: -371.630773 where: bonds (distance) C4'-P energy: -107.177 bonds (distance) P-C4' energy: -107.424 flat angles C4'-P-C4' energy: -98.624 flat angles P-C4'-P energy: -42.096 tors. eta vs tors. theta energy: -16.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -593.470028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.470028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.470028 (E_RNA) where: Base-Base interactions energy: -254.286 where: short stacking energy: -161.388 Base-Backbone interact. energy: -3.085 local terms energy: -336.099074 where: bonds (distance) C4'-P energy: -106.149 bonds (distance) P-C4' energy: -116.170 flat angles C4'-P-C4' energy: -60.071 flat angles P-C4'-P energy: -63.808 tors. eta vs tors. theta energy: 10.099 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: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -505.021107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.021107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.021107 (E_RNA) where: Base-Base interactions energy: -153.454 where: short stacking energy: -104.817 Base-Backbone interact. energy: 1.135 local terms energy: -352.702537 where: bonds (distance) C4'-P energy: -105.528 bonds (distance) P-C4' energy: -105.455 flat angles C4'-P-C4' energy: -85.951 flat angles P-C4'-P energy: -73.335 tors. eta vs tors. theta energy: 17.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -459.697079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.697079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.697079 (E_RNA) where: Base-Base interactions energy: -152.768 where: short stacking energy: -114.805 Base-Backbone interact. energy: 0.316 local terms energy: -307.244593 where: bonds (distance) C4'-P energy: -110.012 bonds (distance) P-C4' energy: -95.866 flat angles C4'-P-C4' energy: -105.275 flat angles P-C4'-P energy: -45.771 tors. eta vs tors. theta energy: 49.680 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: 10 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1819.905431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.905431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.905431 (E_RNA) where: Base-Base interactions energy: -1176.429 where: short stacking energy: -544.030 Base-Backbone interact. energy: -1.128 local terms energy: -642.348540 where: bonds (distance) C4'-P energy: -130.388 bonds (distance) P-C4' energy: -130.055 flat angles C4'-P-C4' energy: -134.589 flat angles P-C4'-P energy: -85.782 tors. eta vs tors. theta energy: -161.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1694.768787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.768787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.768787 (E_RNA) where: Base-Base interactions energy: -1113.160 where: short stacking energy: -491.170 Base-Backbone interact. energy: -6.192 local terms energy: -575.416514 where: bonds (distance) C4'-P energy: -120.263 bonds (distance) P-C4' energy: -129.191 flat angles C4'-P-C4' energy: -131.199 flat angles P-C4'-P energy: -63.790 tors. eta vs tors. theta energy: -130.973 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: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1590.096069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.096069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.096069 (E_RNA) where: Base-Base interactions energy: -1028.069 where: short stacking energy: -468.364 Base-Backbone interact. energy: -0.992 local terms energy: -561.035018 where: bonds (distance) C4'-P energy: -108.372 bonds (distance) P-C4' energy: -119.567 flat angles C4'-P-C4' energy: -111.610 flat angles P-C4'-P energy: -83.999 tors. eta vs tors. theta energy: -137.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1429.088637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.088637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.088637 (E_RNA) where: Base-Base interactions energy: -891.585 where: short stacking energy: -397.977 Base-Backbone interact. energy: -3.482 local terms energy: -534.021700 where: bonds (distance) C4'-P energy: -113.421 bonds (distance) P-C4' energy: -115.130 flat angles C4'-P-C4' energy: -114.606 flat angles P-C4'-P energy: -70.466 tors. eta vs tors. theta energy: -120.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1184.354120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.354120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.354120 (E_RNA) where: Base-Base interactions energy: -684.701 where: short stacking energy: -370.370 Base-Backbone interact. energy: 1.324 local terms energy: -500.977280 where: bonds (distance) C4'-P energy: -107.119 bonds (distance) P-C4' energy: -117.008 flat angles C4'-P-C4' energy: -110.319 flat angles P-C4'-P energy: -79.471 tors. eta vs tors. theta energy: -87.060 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: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1161.475124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.475124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.475124 (E_RNA) where: Base-Base interactions energy: -690.000 where: short stacking energy: -348.442 Base-Backbone interact. energy: -2.027 local terms energy: -469.448234 where: bonds (distance) C4'-P energy: -111.706 bonds (distance) P-C4' energy: -127.240 flat angles C4'-P-C4' energy: -100.980 flat angles P-C4'-P energy: -70.465 tors. eta vs tors. theta energy: -59.058 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: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -715.947000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.947000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.947000 (E_RNA) where: Base-Base interactions energy: -340.848 where: short stacking energy: -189.997 Base-Backbone interact. energy: -1.176 local terms energy: -373.923612 where: bonds (distance) C4'-P energy: -96.806 bonds (distance) P-C4' energy: -88.871 flat angles C4'-P-C4' energy: -98.015 flat angles P-C4'-P energy: -67.022 tors. eta vs tors. theta energy: -23.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -542.130570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.130570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.130570 (E_RNA) where: Base-Base interactions energy: -189.284 where: short stacking energy: -158.249 Base-Backbone interact. energy: 3.475 local terms energy: -356.321631 where: bonds (distance) C4'-P energy: -93.669 bonds (distance) P-C4' energy: -98.494 flat angles C4'-P-C4' energy: -110.787 flat angles P-C4'-P energy: -48.078 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -524.879946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.879946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.879946 (E_RNA) where: Base-Base interactions energy: -197.298 where: short stacking energy: -167.935 Base-Backbone interact. energy: -2.783 local terms energy: -324.798856 where: bonds (distance) C4'-P energy: -92.772 bonds (distance) P-C4' energy: -114.759 flat angles C4'-P-C4' energy: -70.894 flat angles P-C4'-P energy: -57.525 tors. eta vs tors. theta energy: 11.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -474.120332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.120332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.120332 (E_RNA) where: Base-Base interactions energy: -189.934 where: short stacking energy: -145.432 Base-Backbone interact. energy: -1.084 local terms energy: -283.101859 where: bonds (distance) C4'-P energy: -93.598 bonds (distance) P-C4' energy: -89.880 flat angles C4'-P-C4' energy: -77.133 flat angles P-C4'-P energy: -49.325 tors. eta vs tors. theta energy: 26.834 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: 10 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1826.448298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.448298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.448298 (E_RNA) where: Base-Base interactions energy: -1192.898 where: short stacking energy: -538.565 Base-Backbone interact. energy: -4.472 local terms energy: -629.079157 where: bonds (distance) C4'-P energy: -121.835 bonds (distance) P-C4' energy: -116.860 flat angles C4'-P-C4' energy: -141.252 flat angles P-C4'-P energy: -98.901 tors. eta vs tors. theta energy: -150.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1697.583881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.583881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.583881 (E_RNA) where: Base-Base interactions energy: -1112.637 where: short stacking energy: -497.003 Base-Backbone interact. energy: 0.169 local terms energy: -585.115797 where: bonds (distance) C4'-P energy: -115.717 bonds (distance) P-C4' energy: -121.061 flat angles C4'-P-C4' energy: -121.635 flat angles P-C4'-P energy: -87.367 tors. eta vs tors. theta energy: -139.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1560.203774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.203774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.203774 (E_RNA) where: Base-Base interactions energy: -997.175 where: short stacking energy: -455.462 Base-Backbone interact. energy: -1.942 local terms energy: -561.087114 where: bonds (distance) C4'-P energy: -119.198 bonds (distance) P-C4' energy: -114.705 flat angles C4'-P-C4' energy: -127.114 flat angles P-C4'-P energy: -71.687 tors. eta vs tors. theta energy: -128.383 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: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1484.505950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.505950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.505950 (E_RNA) where: Base-Base interactions energy: -914.440 where: short stacking energy: -404.415 Base-Backbone interact. energy: -0.784 local terms energy: -569.281935 where: bonds (distance) C4'-P energy: -122.725 bonds (distance) P-C4' energy: -117.258 flat angles C4'-P-C4' energy: -132.170 flat angles P-C4'-P energy: -78.701 tors. eta vs tors. theta energy: -118.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1229.879392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.879392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.879392 (E_RNA) where: Base-Base interactions energy: -739.957 where: short stacking energy: -351.929 Base-Backbone interact. energy: -0.618 local terms energy: -489.303862 where: bonds (distance) C4'-P energy: -102.702 bonds (distance) P-C4' energy: -118.243 flat angles C4'-P-C4' energy: -114.734 flat angles P-C4'-P energy: -62.576 tors. eta vs tors. theta energy: -91.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1102.171648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.171648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.171648 (E_RNA) where: Base-Base interactions energy: -639.665 where: short stacking energy: -289.119 Base-Backbone interact. energy: 1.261 local terms energy: -463.767533 where: bonds (distance) C4'-P energy: -105.695 bonds (distance) P-C4' energy: -119.454 flat angles C4'-P-C4' energy: -104.213 flat angles P-C4'-P energy: -71.573 tors. eta vs tors. theta energy: -62.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -788.745157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.745157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.745157 (E_RNA) where: Base-Base interactions energy: -374.695 where: short stacking energy: -240.095 Base-Backbone interact. energy: 4.488 local terms energy: -418.538838 where: bonds (distance) C4'-P energy: -106.320 bonds (distance) P-C4' energy: -97.988 flat angles C4'-P-C4' energy: -110.440 flat angles P-C4'-P energy: -60.058 tors. eta vs tors. theta energy: -43.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -584.651793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.651793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.651793 (E_RNA) where: Base-Base interactions energy: -221.569 where: short stacking energy: -167.245 Base-Backbone interact. energy: 2.709 local terms energy: -365.791816 where: bonds (distance) C4'-P energy: -107.894 bonds (distance) P-C4' energy: -94.251 flat angles C4'-P-C4' energy: -101.896 flat angles P-C4'-P energy: -50.826 tors. eta vs tors. theta energy: -10.925 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: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -500.019967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.019967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.019967 (E_RNA) where: Base-Base interactions energy: -165.148 where: short stacking energy: -132.491 Base-Backbone interact. energy: -2.934 local terms energy: -331.937505 where: bonds (distance) C4'-P energy: -103.839 bonds (distance) P-C4' energy: -90.479 flat angles C4'-P-C4' energy: -102.330 flat angles P-C4'-P energy: -50.200 tors. eta vs tors. theta energy: 14.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -453.791857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.791857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.791857 (E_RNA) where: Base-Base interactions energy: -154.634 where: short stacking energy: -135.458 Base-Backbone interact. energy: 5.698 local terms energy: -304.855246 where: bonds (distance) C4'-P energy: -96.826 bonds (distance) P-C4' energy: -103.661 flat angles C4'-P-C4' energy: -82.615 flat angles P-C4'-P energy: -47.034 tors. eta vs tors. theta energy: 25.281 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: 1, replica: 10 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1830.119893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.119893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.119893 (E_RNA) where: Base-Base interactions energy: -1200.419 where: short stacking energy: -562.921 Base-Backbone interact. energy: -4.072 local terms energy: -625.628514 where: bonds (distance) C4'-P energy: -128.421 bonds (distance) P-C4' energy: -119.003 flat angles C4'-P-C4' energy: -138.888 flat angles P-C4'-P energy: -97.923 tors. eta vs tors. theta energy: -141.394 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: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1703.872913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.872913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.872913 (E_RNA) where: Base-Base interactions energy: -1096.379 where: short stacking energy: -488.875 Base-Backbone interact. energy: -2.240 local terms energy: -605.253955 where: bonds (distance) C4'-P energy: -133.519 bonds (distance) P-C4' energy: -110.942 flat angles C4'-P-C4' energy: -135.143 flat angles P-C4'-P energy: -84.140 tors. eta vs tors. theta energy: -141.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1581.913689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.913689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.913689 (E_RNA) where: Base-Base interactions energy: -1017.788 where: short stacking energy: -459.783 Base-Backbone interact. energy: -2.493 local terms energy: -561.633582 where: bonds (distance) C4'-P energy: -107.593 bonds (distance) P-C4' energy: -125.962 flat angles C4'-P-C4' energy: -133.938 flat angles P-C4'-P energy: -77.607 tors. eta vs tors. theta energy: -116.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1412.471113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.471113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.471113 (E_RNA) where: Base-Base interactions energy: -861.719 where: short stacking energy: -402.990 Base-Backbone interact. energy: -3.288 local terms energy: -547.464691 where: bonds (distance) C4'-P energy: -112.074 bonds (distance) P-C4' energy: -127.112 flat angles C4'-P-C4' energy: -118.653 flat angles P-C4'-P energy: -76.898 tors. eta vs tors. theta energy: -112.728 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: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1252.763361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.763361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.763361 (E_RNA) where: Base-Base interactions energy: -748.261 where: short stacking energy: -371.083 Base-Backbone interact. energy: -0.438 local terms energy: -504.063620 where: bonds (distance) C4'-P energy: -116.154 bonds (distance) P-C4' energy: -106.628 flat angles C4'-P-C4' energy: -109.835 flat angles P-C4'-P energy: -54.418 tors. eta vs tors. theta energy: -117.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1122.437375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.437375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.437375 (E_RNA) where: Base-Base interactions energy: -614.186 where: short stacking energy: -326.063 Base-Backbone interact. energy: -1.086 local terms energy: -507.165601 where: bonds (distance) C4'-P energy: -106.468 bonds (distance) P-C4' energy: -127.168 flat angles C4'-P-C4' energy: -113.987 flat angles P-C4'-P energy: -79.446 tors. eta vs tors. theta energy: -80.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -826.800146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.800146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.800146 (E_RNA) where: Base-Base interactions energy: -425.938 where: short stacking energy: -233.230 Base-Backbone interact. energy: 0.788 local terms energy: -401.649945 where: bonds (distance) C4'-P energy: -113.749 bonds (distance) P-C4' energy: -125.136 flat angles C4'-P-C4' energy: -82.361 flat angles P-C4'-P energy: -57.853 tors. eta vs tors. theta energy: -22.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -570.935291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.935291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.935291 (E_RNA) where: Base-Base interactions energy: -210.508 where: short stacking energy: -162.994 Base-Backbone interact. energy: 1.571 local terms energy: -361.998351 where: bonds (distance) C4'-P energy: -94.078 bonds (distance) P-C4' energy: -116.748 flat angles C4'-P-C4' energy: -94.322 flat angles P-C4'-P energy: -66.916 tors. eta vs tors. theta energy: 10.065 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: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -493.618615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.618615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.618615 (E_RNA) where: Base-Base interactions energy: -186.549 where: short stacking energy: -125.947 Base-Backbone interact. energy: 3.026 local terms energy: -310.095993 where: bonds (distance) C4'-P energy: -85.782 bonds (distance) P-C4' energy: -112.618 flat angles C4'-P-C4' energy: -72.502 flat angles P-C4'-P energy: -56.607 tors. eta vs tors. theta energy: 17.412 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: 6 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -472.185397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.185397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.185397 (E_RNA) where: Base-Base interactions energy: -158.433 where: short stacking energy: -130.228 Base-Backbone interact. energy: 6.674 local terms energy: -320.426891 where: bonds (distance) C4'-P energy: -99.668 bonds (distance) P-C4' energy: -119.407 flat angles C4'-P-C4' energy: -80.629 flat angles P-C4'-P energy: -56.173 tors. eta vs tors. theta energy: 35.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1831.697310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.697310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.697310 (E_RNA) where: Base-Base interactions energy: -1211.631 where: short stacking energy: -537.212 Base-Backbone interact. energy: -2.877 local terms energy: -617.189572 where: bonds (distance) C4'-P energy: -119.997 bonds (distance) P-C4' energy: -129.683 flat angles C4'-P-C4' energy: -132.745 flat angles P-C4'-P energy: -90.362 tors. eta vs tors. theta energy: -144.404 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: 2, replica: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1700.717557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.717557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.717557 (E_RNA) where: Base-Base interactions energy: -1140.002 where: short stacking energy: -454.296 Base-Backbone interact. energy: -6.552 local terms energy: -554.164334 where: bonds (distance) C4'-P energy: -117.028 bonds (distance) P-C4' energy: -98.747 flat angles C4'-P-C4' energy: -130.628 flat angles P-C4'-P energy: -83.170 tors. eta vs tors. theta energy: -124.592 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: 30 Temperature: 1.000000 Total energy: -1605.424140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.424140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.424140 (E_RNA) where: Base-Base interactions energy: -1038.523 where: short stacking energy: -471.467 Base-Backbone interact. energy: -2.607 local terms energy: -564.294715 where: bonds (distance) C4'-P energy: -118.913 bonds (distance) P-C4' energy: -126.190 flat angles C4'-P-C4' energy: -119.802 flat angles P-C4'-P energy: -70.951 tors. eta vs tors. theta energy: -128.438 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: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1442.530741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.530741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.530741 (E_RNA) where: Base-Base interactions energy: -912.877 where: short stacking energy: -400.579 Base-Backbone interact. energy: -1.478 local terms energy: -528.175272 where: bonds (distance) C4'-P energy: -101.951 bonds (distance) P-C4' energy: -108.198 flat angles C4'-P-C4' energy: -127.880 flat angles P-C4'-P energy: -78.468 tors. eta vs tors. theta energy: -111.678 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: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1247.307362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.307362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.307362 (E_RNA) where: Base-Base interactions energy: -758.344 where: short stacking energy: -366.320 Base-Backbone interact. energy: -1.097 local terms energy: -487.865878 where: bonds (distance) C4'-P energy: -111.386 bonds (distance) P-C4' energy: -110.793 flat angles C4'-P-C4' energy: -108.877 flat angles P-C4'-P energy: -65.267 tors. eta vs tors. theta energy: -91.543 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: 6, replica: 3 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1122.640427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.640427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.640427 (E_RNA) where: Base-Base interactions energy: -647.186 where: short stacking energy: -320.373 Base-Backbone interact. energy: 0.565 local terms energy: -476.018479 where: bonds (distance) C4'-P energy: -114.269 bonds (distance) P-C4' energy: -115.943 flat angles C4'-P-C4' energy: -105.257 flat angles P-C4'-P energy: -73.610 tors. eta vs tors. theta energy: -66.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -928.217594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.217594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.217594 (E_RNA) where: Base-Base interactions energy: -517.151 where: short stacking energy: -247.533 Base-Backbone interact. energy: -3.308 local terms energy: -407.758995 where: bonds (distance) C4'-P energy: -113.983 bonds (distance) P-C4' energy: -91.049 flat angles C4'-P-C4' energy: -100.423 flat angles P-C4'-P energy: -70.797 tors. eta vs tors. theta energy: -31.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -581.150334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.150334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.150334 (E_RNA) where: Base-Base interactions energy: -230.776 where: short stacking energy: -159.758 Base-Backbone interact. energy: -0.975 local terms energy: -349.399164 where: bonds (distance) C4'-P energy: -96.527 bonds (distance) P-C4' energy: -102.215 flat angles C4'-P-C4' energy: -95.337 flat angles P-C4'-P energy: -64.082 tors. eta vs tors. theta energy: 8.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -508.029445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.029445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.029445 (E_RNA) where: Base-Base interactions energy: -187.064 where: short stacking energy: -148.752 Base-Backbone interact. energy: 3.636 local terms energy: -324.601783 where: bonds (distance) C4'-P energy: -101.257 bonds (distance) P-C4' energy: -109.237 flat angles C4'-P-C4' energy: -81.085 flat angles P-C4'-P energy: -46.997 tors. eta vs tors. theta energy: 13.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -535.082297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.082297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.082297 (E_RNA) where: Base-Base interactions energy: -210.983 where: short stacking energy: -146.285 Base-Backbone interact. energy: -0.556 local terms energy: -323.543384 where: bonds (distance) C4'-P energy: -99.120 bonds (distance) P-C4' energy: -96.144 flat angles C4'-P-C4' energy: -83.290 flat angles P-C4'-P energy: -66.142 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: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1828.061505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.061505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.061505 (E_RNA) where: Base-Base interactions energy: -1219.575 where: short stacking energy: -529.452 Base-Backbone interact. energy: -1.521 local terms energy: -606.966392 where: bonds (distance) C4'-P energy: -106.210 bonds (distance) P-C4' energy: -129.314 flat angles C4'-P-C4' energy: -132.205 flat angles P-C4'-P energy: -92.036 tors. eta vs tors. theta energy: -147.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1712.981360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.981360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.981360 (E_RNA) where: Base-Base interactions energy: -1106.495 where: short stacking energy: -484.106 Base-Backbone interact. energy: -3.920 local terms energy: -602.565970 where: bonds (distance) C4'-P energy: -124.013 bonds (distance) P-C4' energy: -117.274 flat angles C4'-P-C4' energy: -139.270 flat angles P-C4'-P energy: -81.011 tors. eta vs tors. theta energy: -140.998 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: 31 Temperature: 1.000000 Total energy: -1597.113533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.113533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.113533 (E_RNA) where: Base-Base interactions energy: -1046.450 where: short stacking energy: -470.605 Base-Backbone interact. energy: 0.484 local terms energy: -551.148105 where: bonds (distance) C4'-P energy: -111.159 bonds (distance) P-C4' energy: -119.436 flat angles C4'-P-C4' energy: -114.709 flat angles P-C4'-P energy: -75.916 tors. eta vs tors. theta energy: -129.927 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: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1440.572677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.572677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.572677 (E_RNA) where: Base-Base interactions energy: -910.727 where: short stacking energy: -441.461 Base-Backbone interact. energy: 0.017 local terms energy: -529.862738 where: bonds (distance) C4'-P energy: -109.771 bonds (distance) P-C4' energy: -116.272 flat angles C4'-P-C4' energy: -115.087 flat angles P-C4'-P energy: -72.403 tors. eta vs tors. theta energy: -116.330 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: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1196.859216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.859216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.859216 (E_RNA) where: Base-Base interactions energy: -713.724 where: short stacking energy: -386.806 Base-Backbone interact. energy: -1.530 local terms energy: -481.605717 where: bonds (distance) C4'-P energy: -107.577 bonds (distance) P-C4' energy: -123.544 flat angles C4'-P-C4' energy: -109.769 flat angles P-C4'-P energy: -61.400 tors. eta vs tors. theta energy: -79.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1145.409885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.409885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.409885 (E_RNA) where: Base-Base interactions energy: -661.755 where: short stacking energy: -313.343 Base-Backbone interact. energy: -2.064 local terms energy: -481.590422 where: bonds (distance) C4'-P energy: -123.184 bonds (distance) P-C4' energy: -119.848 flat angles C4'-P-C4' energy: -103.917 flat angles P-C4'-P energy: -71.711 tors. eta vs tors. theta energy: -62.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1001.028212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.028212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.028212 (E_RNA) where: Base-Base interactions energy: -585.067 where: short stacking energy: -294.486 Base-Backbone interact. energy: -0.944 local terms energy: -415.017595 where: bonds (distance) C4'-P energy: -103.451 bonds (distance) P-C4' energy: -113.212 flat angles C4'-P-C4' energy: -105.067 flat angles P-C4'-P energy: -55.193 tors. eta vs tors. theta energy: -38.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -556.418194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.418194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.418194 (E_RNA) where: Base-Base interactions energy: -179.253 where: short stacking energy: -143.824 Base-Backbone interact. energy: 1.086 local terms energy: -378.250889 where: bonds (distance) C4'-P energy: -110.914 bonds (distance) P-C4' energy: -113.266 flat angles C4'-P-C4' energy: -95.503 flat angles P-C4'-P energy: -56.286 tors. eta vs tors. theta energy: -2.283 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: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -525.514941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.514941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.514941 (E_RNA) where: Base-Base interactions energy: -189.957 where: short stacking energy: -141.099 Base-Backbone interact. energy: -2.001 local terms energy: -333.556379 where: bonds (distance) C4'-P energy: -107.585 bonds (distance) P-C4' energy: -104.005 flat angles C4'-P-C4' energy: -79.079 flat angles P-C4'-P energy: -61.367 tors. eta vs tors. theta energy: 18.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -513.664901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.664901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.664901 (E_RNA) where: Base-Base interactions energy: -182.790 where: short stacking energy: -142.785 Base-Backbone interact. energy: 7.913 local terms energy: -338.787669 where: bonds (distance) C4'-P energy: -93.759 bonds (distance) P-C4' energy: -111.799 flat angles C4'-P-C4' energy: -91.611 flat angles P-C4'-P energy: -58.415 tors. eta vs tors. theta energy: 16.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1824.345075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.345075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.345075 (E_RNA) where: Base-Base interactions energy: -1188.197 where: short stacking energy: -545.901 Base-Backbone interact. energy: -0.400 local terms energy: -635.748125 where: bonds (distance) C4'-P energy: -128.213 bonds (distance) P-C4' energy: -129.726 flat angles C4'-P-C4' energy: -135.091 flat angles P-C4'-P energy: -92.486 tors. eta vs tors. theta energy: -150.231 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: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1709.280916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.280916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.280916 (E_RNA) where: Base-Base interactions energy: -1137.294 where: short stacking energy: -462.688 Base-Backbone interact. energy: -4.155 local terms energy: -567.832576 where: bonds (distance) C4'-P energy: -121.866 bonds (distance) P-C4' energy: -123.888 flat angles C4'-P-C4' energy: -111.950 flat angles P-C4'-P energy: -86.484 tors. eta vs tors. theta energy: -123.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1613.956887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.956887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.956887 (E_RNA) where: Base-Base interactions energy: -1041.471 where: short stacking energy: -460.538 Base-Backbone interact. energy: 0.432 local terms energy: -572.917406 where: bonds (distance) C4'-P energy: -112.499 bonds (distance) P-C4' energy: -118.615 flat angles C4'-P-C4' energy: -131.886 flat angles P-C4'-P energy: -85.258 tors. eta vs tors. theta energy: -124.660 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: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1455.353001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.353001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.353001 (E_RNA) where: Base-Base interactions energy: -913.271 where: short stacking energy: -423.438 Base-Backbone interact. energy: -0.714 local terms energy: -541.367218 where: bonds (distance) C4'-P energy: -111.109 bonds (distance) P-C4' energy: -123.901 flat angles C4'-P-C4' energy: -125.761 flat angles P-C4'-P energy: -78.040 tors. eta vs tors. theta energy: -102.557 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: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1196.339060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.339060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.339060 (E_RNA) where: Base-Base interactions energy: -703.912 where: short stacking energy: -334.637 Base-Backbone interact. energy: -2.272 local terms energy: -490.155008 where: bonds (distance) C4'-P energy: -101.249 bonds (distance) P-C4' energy: -125.033 flat angles C4'-P-C4' energy: -129.498 flat angles P-C4'-P energy: -68.431 tors. eta vs tors. theta energy: -65.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1226.423967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.423967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.423967 (E_RNA) where: Base-Base interactions energy: -751.089 where: short stacking energy: -333.739 Base-Backbone interact. energy: 0.536 local terms energy: -475.870416 where: bonds (distance) C4'-P energy: -102.977 bonds (distance) P-C4' energy: -113.549 flat angles C4'-P-C4' energy: -105.290 flat angles P-C4'-P energy: -75.190 tors. eta vs tors. theta energy: -78.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -924.186323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.186323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.186323 (E_RNA) where: Base-Base interactions energy: -545.536 where: short stacking energy: -270.386 Base-Backbone interact. energy: -4.259 local terms energy: -374.390979 where: bonds (distance) C4'-P energy: -84.521 bonds (distance) P-C4' energy: -109.842 flat angles C4'-P-C4' energy: -94.684 flat angles P-C4'-P energy: -48.723 tors. eta vs tors. theta energy: -36.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -593.223858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.223858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.223858 (E_RNA) where: Base-Base interactions energy: -258.432 where: short stacking energy: -180.185 Base-Backbone interact. energy: 2.565 local terms energy: -337.356609 where: bonds (distance) C4'-P energy: -103.465 bonds (distance) P-C4' energy: -111.757 flat angles C4'-P-C4' energy: -83.349 flat angles P-C4'-P energy: -49.249 tors. eta vs tors. theta energy: 10.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -575.187594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.187594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.187594 (E_RNA) where: Base-Base interactions energy: -244.929 where: short stacking energy: -148.261 Base-Backbone interact. energy: 0.317 local terms energy: -330.575099 where: bonds (distance) C4'-P energy: -103.056 bonds (distance) P-C4' energy: -86.213 flat angles C4'-P-C4' energy: -100.804 flat angles P-C4'-P energy: -46.222 tors. eta vs tors. theta energy: 5.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -459.416594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.416594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.416594 (E_RNA) where: Base-Base interactions energy: -139.262 where: short stacking energy: -122.140 Base-Backbone interact. energy: -3.778 local terms energy: -316.375993 where: bonds (distance) C4'-P energy: -100.604 bonds (distance) P-C4' energy: -109.563 flat angles C4'-P-C4' energy: -88.415 flat angles P-C4'-P energy: -35.792 tors. eta vs tors. theta energy: 17.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1821.458405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.458405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.458405 (E_RNA) where: Base-Base interactions energy: -1177.409 where: short stacking energy: -536.331 Base-Backbone interact. energy: -2.508 local terms energy: -641.540993 where: bonds (distance) C4'-P energy: -120.725 bonds (distance) P-C4' energy: -126.109 flat angles C4'-P-C4' energy: -145.328 flat angles P-C4'-P energy: -88.930 tors. eta vs tors. theta energy: -160.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1683.855778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.855778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.855778 (E_RNA) where: Base-Base interactions energy: -1116.816 where: short stacking energy: -485.997 Base-Backbone interact. energy: 0.099 local terms energy: -567.139405 where: bonds (distance) C4'-P energy: -124.706 bonds (distance) P-C4' energy: -118.481 flat angles C4'-P-C4' energy: -127.291 flat angles P-C4'-P energy: -67.669 tors. eta vs tors. theta energy: -128.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1641.421462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.421462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.421462 (E_RNA) where: Base-Base interactions energy: -1071.227 where: short stacking energy: -489.881 Base-Backbone interact. energy: -0.338 local terms energy: -569.856614 where: bonds (distance) C4'-P energy: -129.895 bonds (distance) P-C4' energy: -96.790 flat angles C4'-P-C4' energy: -133.866 flat angles P-C4'-P energy: -72.975 tors. eta vs tors. theta energy: -136.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1436.143691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.143691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.143691 (E_RNA) where: Base-Base interactions energy: -912.836 where: short stacking energy: -401.267 Base-Backbone interact. energy: -1.727 local terms energy: -521.580167 where: bonds (distance) C4'-P energy: -112.044 bonds (distance) P-C4' energy: -99.627 flat angles C4'-P-C4' energy: -122.232 flat angles P-C4'-P energy: -75.676 tors. eta vs tors. theta energy: -112.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1193.785903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.785903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.785903 (E_RNA) where: Base-Base interactions energy: -714.388 where: short stacking energy: -368.349 Base-Backbone interact. energy: -0.356 local terms energy: -479.041566 where: bonds (distance) C4'-P energy: -84.162 bonds (distance) P-C4' energy: -115.381 flat angles C4'-P-C4' energy: -116.617 flat angles P-C4'-P energy: -71.007 tors. eta vs tors. theta energy: -91.875 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: 3 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1195.647280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.647280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.647280 (E_RNA) where: Base-Base interactions energy: -737.229 where: short stacking energy: -348.450 Base-Backbone interact. energy: -1.168 local terms energy: -457.249726 where: bonds (distance) C4'-P energy: -90.383 bonds (distance) P-C4' energy: -114.128 flat angles C4'-P-C4' energy: -113.277 flat angles P-C4'-P energy: -56.246 tors. eta vs tors. theta energy: -83.215 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: 33 Temperature: 1.200000 Total energy: -954.548596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.548596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.548596 (E_RNA) where: Base-Base interactions energy: -542.347 where: short stacking energy: -262.260 Base-Backbone interact. energy: -1.678 local terms energy: -410.523422 where: bonds (distance) C4'-P energy: -118.766 bonds (distance) P-C4' energy: -107.247 flat angles C4'-P-C4' energy: -106.266 flat angles P-C4'-P energy: -38.090 tors. eta vs tors. theta energy: -40.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -647.014145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.014145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.014145 (E_RNA) where: Base-Base interactions energy: -260.315 where: short stacking energy: -195.536 Base-Backbone interact. energy: -3.168 local terms energy: -383.531433 where: bonds (distance) C4'-P energy: -93.412 bonds (distance) P-C4' energy: -102.905 flat angles C4'-P-C4' energy: -101.252 flat angles P-C4'-P energy: -79.337 tors. eta vs tors. theta energy: -6.626 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: 8 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -549.155596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.155596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.155596 (E_RNA) where: Base-Base interactions energy: -200.793 where: short stacking energy: -149.263 Base-Backbone interact. energy: -2.965 local terms energy: -345.397026 where: bonds (distance) C4'-P energy: -102.610 bonds (distance) P-C4' energy: -106.895 flat angles C4'-P-C4' energy: -82.589 flat angles P-C4'-P energy: -59.311 tors. eta vs tors. theta energy: 6.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -472.167197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.167197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.167197 (E_RNA) where: Base-Base interactions energy: -158.376 where: short stacking energy: -132.799 Base-Backbone interact. energy: 4.441 local terms energy: -318.232254 where: bonds (distance) C4'-P energy: -83.500 bonds (distance) P-C4' energy: -89.224 flat angles C4'-P-C4' energy: -84.313 flat angles P-C4'-P energy: -70.960 tors. eta vs tors. theta energy: 9.765 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: 10 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1820.214775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.214775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.214775 (E_RNA) where: Base-Base interactions energy: -1186.866 where: short stacking energy: -527.496 Base-Backbone interact. energy: 2.629 local terms energy: -635.977332 where: bonds (distance) C4'-P energy: -117.359 bonds (distance) P-C4' energy: -120.499 flat angles C4'-P-C4' energy: -135.863 flat angles P-C4'-P energy: -101.364 tors. eta vs tors. theta energy: -160.892 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: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1724.477212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.477212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.477212 (E_RNA) where: Base-Base interactions energy: -1128.089 where: short stacking energy: -490.565 Base-Backbone interact. energy: -0.759 local terms energy: -595.628933 where: bonds (distance) C4'-P energy: -123.477 bonds (distance) P-C4' energy: -131.080 flat angles C4'-P-C4' energy: -125.410 flat angles P-C4'-P energy: -78.614 tors. eta vs tors. theta energy: -137.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1649.084710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.084710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.084710 (E_RNA) where: Base-Base interactions energy: -1068.934 where: short stacking energy: -492.443 Base-Backbone interact. energy: -2.389 local terms energy: -577.761496 where: bonds (distance) C4'-P energy: -108.575 bonds (distance) P-C4' energy: -126.247 flat angles C4'-P-C4' energy: -118.175 flat angles P-C4'-P energy: -84.930 tors. eta vs tors. theta energy: -139.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1470.765342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.765342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.765342 (E_RNA) where: Base-Base interactions energy: -941.712 where: short stacking energy: -456.055 Base-Backbone interact. energy: -3.310 local terms energy: -525.742526 where: bonds (distance) C4'-P energy: -106.352 bonds (distance) P-C4' energy: -102.351 flat angles C4'-P-C4' energy: -119.887 flat angles P-C4'-P energy: -66.380 tors. eta vs tors. theta energy: -130.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1342.759815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.759815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.759815 (E_RNA) where: Base-Base interactions energy: -832.881 where: short stacking energy: -387.610 Base-Backbone interact. energy: 4.257 local terms energy: -514.136690 where: bonds (distance) C4'-P energy: -103.623 bonds (distance) P-C4' energy: -125.700 flat angles C4'-P-C4' energy: -108.572 flat angles P-C4'-P energy: -84.582 tors. eta vs tors. theta energy: -91.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1239.348877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.348877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.348877 (E_RNA) where: Base-Base interactions energy: -751.531 where: short stacking energy: -349.007 Base-Backbone interact. energy: -0.134 local terms energy: -487.684437 where: bonds (distance) C4'-P energy: -118.810 bonds (distance) P-C4' energy: -115.092 flat angles C4'-P-C4' energy: -107.588 flat angles P-C4'-P energy: -69.224 tors. eta vs tors. theta energy: -76.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -977.421578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.421578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.421578 (E_RNA) where: Base-Base interactions energy: -536.486 where: short stacking energy: -287.461 Base-Backbone interact. energy: -1.046 local terms energy: -439.889010 where: bonds (distance) C4'-P energy: -86.370 bonds (distance) P-C4' energy: -127.385 flat angles C4'-P-C4' energy: -117.127 flat angles P-C4'-P energy: -70.334 tors. eta vs tors. theta energy: -38.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -584.314402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.314402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.314402 (E_RNA) where: Base-Base interactions energy: -244.040 where: short stacking energy: -173.399 Base-Backbone interact. energy: 0.114 local terms energy: -340.389052 where: bonds (distance) C4'-P energy: -93.572 bonds (distance) P-C4' energy: -115.925 flat angles C4'-P-C4' energy: -84.132 flat angles P-C4'-P energy: -58.736 tors. eta vs tors. theta energy: 11.976 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: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -524.532623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.532623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.532623 (E_RNA) where: Base-Base interactions energy: -195.234 where: short stacking energy: -157.491 Base-Backbone interact. energy: -1.587 local terms energy: -327.712303 where: bonds (distance) C4'-P energy: -85.039 bonds (distance) P-C4' energy: -97.861 flat angles C4'-P-C4' energy: -81.849 flat angles P-C4'-P energy: -61.829 tors. eta vs tors. theta energy: -1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -484.992342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.992342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.992342 (E_RNA) where: Base-Base interactions energy: -158.053 where: short stacking energy: -124.780 Base-Backbone interact. energy: -0.035 local terms energy: -326.904337 where: bonds (distance) C4'-P energy: -108.539 bonds (distance) P-C4' energy: -97.494 flat angles C4'-P-C4' energy: -80.740 flat angles P-C4'-P energy: -58.604 tors. eta vs tors. theta energy: 18.473 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: 10 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1873.739263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.739263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.739263 (E_RNA) where: Base-Base interactions energy: -1220.212 where: short stacking energy: -557.431 Base-Backbone interact. energy: -1.861 local terms energy: -651.666098 where: bonds (distance) C4'-P energy: -130.640 bonds (distance) P-C4' energy: -111.706 flat angles C4'-P-C4' energy: -147.620 flat angles P-C4'-P energy: -88.081 tors. eta vs tors. theta energy: -173.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1743.274937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.274937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.274937 (E_RNA) where: Base-Base interactions energy: -1155.188 where: short stacking energy: -518.464 Base-Backbone interact. energy: -3.106 local terms energy: -584.981387 where: bonds (distance) C4'-P energy: -118.266 bonds (distance) P-C4' energy: -121.911 flat angles C4'-P-C4' energy: -114.015 flat angles P-C4'-P energy: -97.912 tors. eta vs tors. theta energy: -132.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1646.174852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.174852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.174852 (E_RNA) where: Base-Base interactions energy: -1074.152 where: short stacking energy: -489.575 Base-Backbone interact. energy: 2.540 local terms energy: -574.563440 where: bonds (distance) C4'-P energy: -111.484 bonds (distance) P-C4' energy: -127.576 flat angles C4'-P-C4' energy: -123.198 flat angles P-C4'-P energy: -68.097 tors. eta vs tors. theta energy: -144.208 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: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1425.703181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.703181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.703181 (E_RNA) where: Base-Base interactions energy: -892.389 where: short stacking energy: -415.162 Base-Backbone interact. energy: -3.554 local terms energy: -529.760546 where: bonds (distance) C4'-P energy: -104.706 bonds (distance) P-C4' energy: -107.924 flat angles C4'-P-C4' energy: -119.747 flat angles P-C4'-P energy: -81.283 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: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1358.796609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.796609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.796609 (E_RNA) where: Base-Base interactions energy: -850.742 where: short stacking energy: -386.369 Base-Backbone interact. energy: -2.428 local terms energy: -505.627128 where: bonds (distance) C4'-P energy: -101.017 bonds (distance) P-C4' energy: -113.820 flat angles C4'-P-C4' energy: -120.243 flat angles P-C4'-P energy: -73.405 tors. eta vs tors. theta energy: -97.142 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: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1168.528775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.528775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.528775 (E_RNA) where: Base-Base interactions energy: -715.535 where: short stacking energy: -341.028 Base-Backbone interact. energy: 1.694 local terms energy: -454.687080 where: bonds (distance) C4'-P energy: -108.719 bonds (distance) P-C4' energy: -98.091 flat angles C4'-P-C4' energy: -110.694 flat angles P-C4'-P energy: -66.851 tors. eta vs tors. theta energy: -70.331 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: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -988.156803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.156803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.156803 (E_RNA) where: Base-Base interactions energy: -574.762 where: short stacking energy: -273.032 Base-Backbone interact. energy: -2.437 local terms energy: -410.958167 where: bonds (distance) C4'-P energy: -111.937 bonds (distance) P-C4' energy: -97.432 flat angles C4'-P-C4' energy: -107.632 flat angles P-C4'-P energy: -63.614 tors. eta vs tors. theta energy: -30.344 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: 9 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -597.506059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.506059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.506059 (E_RNA) where: Base-Base interactions energy: -274.817 where: short stacking energy: -196.257 Base-Backbone interact. energy: -0.740 local terms energy: -321.948899 where: bonds (distance) C4'-P energy: -90.305 bonds (distance) P-C4' energy: -100.378 flat angles C4'-P-C4' energy: -85.480 flat angles P-C4'-P energy: -51.714 tors. eta vs tors. theta energy: 5.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -537.952314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.952314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.952314 (E_RNA) where: Base-Base interactions energy: -212.390 where: short stacking energy: -158.954 Base-Backbone interact. energy: 7.107 local terms energy: -332.669121 where: bonds (distance) C4'-P energy: -88.437 bonds (distance) P-C4' energy: -104.534 flat angles C4'-P-C4' energy: -95.690 flat angles P-C4'-P energy: -53.999 tors. eta vs tors. theta energy: 9.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -496.822869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.822869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.822869 (E_RNA) where: Base-Base interactions energy: -223.578 where: short stacking energy: -163.903 Base-Backbone interact. energy: 0.803 local terms energy: -274.048331 where: bonds (distance) C4'-P energy: -91.744 bonds (distance) P-C4' energy: -100.322 flat angles C4'-P-C4' energy: -67.840 flat angles P-C4'-P energy: -26.078 tors. eta vs tors. theta energy: 11.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1896.125381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.125381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.125381 (E_RNA) where: Base-Base interactions energy: -1233.456 where: short stacking energy: -572.781 Base-Backbone interact. energy: -1.803 local terms energy: -660.866400 where: bonds (distance) C4'-P energy: -123.815 bonds (distance) P-C4' energy: -133.143 flat angles C4'-P-C4' energy: -147.562 flat angles P-C4'-P energy: -89.431 tors. eta vs tors. theta energy: -166.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1722.800058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.800058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.800058 (E_RNA) where: Base-Base interactions energy: -1144.578 where: short stacking energy: -480.480 Base-Backbone interact. energy: -0.036 local terms energy: -578.185397 where: bonds (distance) C4'-P energy: -118.267 bonds (distance) P-C4' energy: -120.866 flat angles C4'-P-C4' energy: -128.478 flat angles P-C4'-P energy: -82.241 tors. eta vs tors. theta energy: -128.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1565.124487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.124487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.124487 (E_RNA) where: Base-Base interactions energy: -986.351 where: short stacking energy: -446.494 Base-Backbone interact. energy: -1.871 local terms energy: -576.903251 where: bonds (distance) C4'-P energy: -122.746 bonds (distance) P-C4' energy: -125.994 flat angles C4'-P-C4' energy: -128.738 flat angles P-C4'-P energy: -75.367 tors. eta vs tors. theta energy: -124.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1485.159144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.159144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.159144 (E_RNA) where: Base-Base interactions energy: -922.631 where: short stacking energy: -416.497 Base-Backbone interact. energy: -2.058 local terms energy: -560.469695 where: bonds (distance) C4'-P energy: -119.981 bonds (distance) P-C4' energy: -115.712 flat angles C4'-P-C4' energy: -131.059 flat angles P-C4'-P energy: -67.892 tors. eta vs tors. theta energy: -125.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1342.955791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.955791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.955791 (E_RNA) where: Base-Base interactions energy: -824.519 where: short stacking energy: -396.439 Base-Backbone interact. energy: -5.092 local terms energy: -513.344041 where: bonds (distance) C4'-P energy: -113.033 bonds (distance) P-C4' energy: -108.321 flat angles C4'-P-C4' energy: -114.254 flat angles P-C4'-P energy: -78.748 tors. eta vs tors. theta energy: -98.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1140.979536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.979536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.979536 (E_RNA) where: Base-Base interactions energy: -693.180 where: short stacking energy: -336.424 Base-Backbone interact. energy: -2.168 local terms energy: -445.631029 where: bonds (distance) C4'-P energy: -94.977 bonds (distance) P-C4' energy: -111.045 flat angles C4'-P-C4' energy: -102.136 flat angles P-C4'-P energy: -74.658 tors. eta vs tors. theta energy: -62.815 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: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1026.766541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.766541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.766541 (E_RNA) where: Base-Base interactions energy: -639.271 where: short stacking energy: -306.926 Base-Backbone interact. energy: 1.277 local terms energy: -388.772535 where: bonds (distance) C4'-P energy: -76.023 bonds (distance) P-C4' energy: -97.205 flat angles C4'-P-C4' energy: -105.385 flat angles P-C4'-P energy: -64.793 tors. eta vs tors. theta energy: -45.368 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: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -606.087741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.087741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.087741 (E_RNA) where: Base-Base interactions energy: -285.544 where: short stacking energy: -170.025 Base-Backbone interact. energy: -0.349 local terms energy: -320.194537 where: bonds (distance) C4'-P energy: -95.530 bonds (distance) P-C4' energy: -104.078 flat angles C4'-P-C4' energy: -92.112 flat angles P-C4'-P energy: -34.919 tors. eta vs tors. theta energy: 6.445 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: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -576.493140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.493140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.493140 (E_RNA) where: Base-Base interactions energy: -257.868 where: short stacking energy: -179.685 Base-Backbone interact. energy: 6.846 local terms energy: -325.471187 where: bonds (distance) C4'-P energy: -96.807 bonds (distance) P-C4' energy: -114.462 flat angles C4'-P-C4' energy: -74.885 flat angles P-C4'-P energy: -58.995 tors. eta vs tors. theta energy: 19.678 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: 6 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -552.817303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.817303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.817303 (E_RNA) where: Base-Base interactions energy: -228.165 where: short stacking energy: -137.657 Base-Backbone interact. energy: 2.131 local terms energy: -326.783263 where: bonds (distance) C4'-P energy: -99.214 bonds (distance) P-C4' energy: -108.843 flat angles C4'-P-C4' energy: -83.555 flat angles P-C4'-P energy: -39.128 tors. eta vs tors. theta energy: 3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1879.591918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.591918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.591918 (E_RNA) where: Base-Base interactions energy: -1216.305 where: short stacking energy: -579.925 Base-Backbone interact. energy: -1.332 local terms energy: -661.955075 where: bonds (distance) C4'-P energy: -115.321 bonds (distance) P-C4' energy: -129.595 flat angles C4'-P-C4' energy: -146.030 flat angles P-C4'-P energy: -88.518 tors. eta vs tors. theta energy: -182.492 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: 2, replica: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1703.676833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.676833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.676833 (E_RNA) where: Base-Base interactions energy: -1101.565 where: short stacking energy: -465.883 Base-Backbone interact. energy: 0.562 local terms energy: -602.674216 where: bonds (distance) C4'-P energy: -121.143 bonds (distance) P-C4' energy: -119.709 flat angles C4'-P-C4' energy: -125.801 flat angles P-C4'-P energy: -93.585 tors. eta vs tors. theta energy: -142.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1569.606537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.606537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.606537 (E_RNA) where: Base-Base interactions energy: -1014.331 where: short stacking energy: -473.808 Base-Backbone interact. energy: -0.934 local terms energy: -554.341778 where: bonds (distance) C4'-P energy: -106.136 bonds (distance) P-C4' energy: -129.083 flat angles C4'-P-C4' energy: -127.351 flat angles P-C4'-P energy: -67.966 tors. eta vs tors. theta energy: -123.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1411.424489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.424489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.424489 (E_RNA) where: Base-Base interactions energy: -888.988 where: short stacking energy: -397.580 Base-Backbone interact. energy: 4.475 local terms energy: -526.911839 where: bonds (distance) C4'-P energy: -106.754 bonds (distance) P-C4' energy: -117.338 flat angles C4'-P-C4' energy: -121.362 flat angles P-C4'-P energy: -66.280 tors. eta vs tors. theta energy: -115.178 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: 5, replica: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1344.537383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.537383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.537383 (E_RNA) where: Base-Base interactions energy: -833.826 where: short stacking energy: -385.366 Base-Backbone interact. energy: -1.814 local terms energy: -508.897241 where: bonds (distance) C4'-P energy: -118.817 bonds (distance) P-C4' energy: -92.847 flat angles C4'-P-C4' energy: -108.577 flat angles P-C4'-P energy: -77.769 tors. eta vs tors. theta energy: -110.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1115.806593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.806593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.806593 (E_RNA) where: Base-Base interactions energy: -663.403 where: short stacking energy: -348.759 Base-Backbone interact. energy: -1.669 local terms energy: -450.734390 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -114.897 flat angles C4'-P-C4' energy: -99.121 flat angles P-C4'-P energy: -63.802 tors. eta vs tors. theta energy: -73.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -986.136536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.136536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.136536 (E_RNA) where: Base-Base interactions energy: -581.994 where: short stacking energy: -296.221 Base-Backbone interact. energy: 2.361 local terms energy: -406.503034 where: bonds (distance) C4'-P energy: -101.927 bonds (distance) P-C4' energy: -108.146 flat angles C4'-P-C4' energy: -86.420 flat angles P-C4'-P energy: -58.858 tors. eta vs tors. theta energy: -51.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -633.141409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.141409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.141409 (E_RNA) where: Base-Base interactions energy: -269.114 where: short stacking energy: -182.487 Base-Backbone interact. energy: -0.807 local terms energy: -363.221203 where: bonds (distance) C4'-P energy: -98.969 bonds (distance) P-C4' energy: -111.457 flat angles C4'-P-C4' energy: -98.815 flat angles P-C4'-P energy: -70.451 tors. eta vs tors. theta energy: 16.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -557.173503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.173503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.173503 (E_RNA) where: Base-Base interactions energy: -227.755 where: short stacking energy: -141.488 Base-Backbone interact. energy: -2.184 local terms energy: -327.234986 where: bonds (distance) C4'-P energy: -95.040 bonds (distance) P-C4' energy: -99.802 flat angles C4'-P-C4' energy: -101.479 flat angles P-C4'-P energy: -54.005 tors. eta vs tors. theta energy: 23.090 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: 6 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -556.891760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.891760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.891760 (E_RNA) where: Base-Base interactions energy: -226.769 where: short stacking energy: -176.078 Base-Backbone interact. energy: -2.384 local terms energy: -327.739267 where: bonds (distance) C4'-P energy: -91.704 bonds (distance) P-C4' energy: -100.442 flat angles C4'-P-C4' energy: -71.899 flat angles P-C4'-P energy: -69.008 tors. eta vs tors. theta energy: 5.314 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: 10 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1875.585003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.585003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.585003 (E_RNA) where: Base-Base interactions energy: -1205.094 where: short stacking energy: -577.816 Base-Backbone interact. energy: -2.905 local terms energy: -667.585873 where: bonds (distance) C4'-P energy: -137.210 bonds (distance) P-C4' energy: -129.761 flat angles C4'-P-C4' energy: -138.803 flat angles P-C4'-P energy: -89.706 tors. eta vs tors. theta energy: -172.106 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: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1686.560236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.560236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.560236 (E_RNA) where: Base-Base interactions energy: -1091.542 where: short stacking energy: -475.872 Base-Backbone interact. energy: -1.707 local terms energy: -593.312010 where: bonds (distance) C4'-P energy: -118.702 bonds (distance) P-C4' energy: -115.009 flat angles C4'-P-C4' energy: -130.127 flat angles P-C4'-P energy: -95.006 tors. eta vs tors. theta energy: -134.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1521.806056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.806056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.806056 (E_RNA) where: Base-Base interactions energy: -962.859 where: short stacking energy: -445.340 Base-Backbone interact. energy: -0.483 local terms energy: -558.464201 where: bonds (distance) C4'-P energy: -115.044 bonds (distance) P-C4' energy: -126.843 flat angles C4'-P-C4' energy: -133.029 flat angles P-C4'-P energy: -64.497 tors. eta vs tors. theta energy: -119.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1438.746435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.746435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.746435 (E_RNA) where: Base-Base interactions energy: -910.396 where: short stacking energy: -435.085 Base-Backbone interact. energy: -0.065 local terms energy: -528.285914 where: bonds (distance) C4'-P energy: -111.367 bonds (distance) P-C4' energy: -117.918 flat angles C4'-P-C4' energy: -122.165 flat angles P-C4'-P energy: -64.372 tors. eta vs tors. theta energy: -112.464 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: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1302.748764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.748764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.748764 (E_RNA) where: Base-Base interactions energy: -827.628 where: short stacking energy: -386.397 Base-Backbone interact. energy: -2.143 local terms energy: -472.977428 where: bonds (distance) C4'-P energy: -99.845 bonds (distance) P-C4' energy: -115.480 flat angles C4'-P-C4' energy: -112.042 flat angles P-C4'-P energy: -66.588 tors. eta vs tors. theta energy: -79.022 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: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1148.315601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.315601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.315601 (E_RNA) where: Base-Base interactions energy: -652.026 where: short stacking energy: -316.033 Base-Backbone interact. energy: -1.802 local terms energy: -494.487270 where: bonds (distance) C4'-P energy: -123.092 bonds (distance) P-C4' energy: -101.058 flat angles C4'-P-C4' energy: -117.067 flat angles P-C4'-P energy: -84.984 tors. eta vs tors. theta energy: -68.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1009.190917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.190917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.190917 (E_RNA) where: Base-Base interactions energy: -571.067 where: short stacking energy: -254.717 Base-Backbone interact. energy: -1.702 local terms energy: -436.422677 where: bonds (distance) C4'-P energy: -113.328 bonds (distance) P-C4' energy: -115.647 flat angles C4'-P-C4' energy: -103.059 flat angles P-C4'-P energy: -72.905 tors. eta vs tors. theta energy: -31.484 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: 38 Temperature: 1.250000 Total energy: -643.808411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.808411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.808411 (E_RNA) where: Base-Base interactions energy: -265.823 where: short stacking energy: -195.138 Base-Backbone interact. energy: -0.833 local terms energy: -377.151997 where: bonds (distance) C4'-P energy: -104.594 bonds (distance) P-C4' energy: -103.945 flat angles C4'-P-C4' energy: -106.653 flat angles P-C4'-P energy: -50.900 tors. eta vs tors. theta energy: -11.061 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: 9, replica: 6 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -556.430496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.430496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.430496 (E_RNA) where: Base-Base interactions energy: -215.016 where: short stacking energy: -152.366 Base-Backbone interact. energy: 2.203 local terms energy: -343.617114 where: bonds (distance) C4'-P energy: -98.064 bonds (distance) P-C4' energy: -96.333 flat angles C4'-P-C4' energy: -95.228 flat angles P-C4'-P energy: -49.109 tors. eta vs tors. theta energy: -4.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -452.928670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.928670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.928670 (E_RNA) where: Base-Base interactions energy: -164.971 where: short stacking energy: -114.750 Base-Backbone interact. energy: -0.388 local terms energy: -287.569496 where: bonds (distance) C4'-P energy: -81.643 bonds (distance) P-C4' energy: -105.347 flat angles C4'-P-C4' energy: -90.355 flat angles P-C4'-P energy: -52.174 tors. eta vs tors. theta energy: 41.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1901.094977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.094977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.094977 (E_RNA) where: Base-Base interactions energy: -1256.914 where: short stacking energy: -555.278 Base-Backbone interact. energy: 0.938 local terms energy: -645.119547 where: bonds (distance) C4'-P energy: -128.147 bonds (distance) P-C4' energy: -120.087 flat angles C4'-P-C4' energy: -139.532 flat angles P-C4'-P energy: -84.111 tors. eta vs tors. theta energy: -173.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1770.430122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.430122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.430122 (E_RNA) where: Base-Base interactions energy: -1169.555 where: short stacking energy: -526.805 Base-Backbone interact. energy: -3.324 local terms energy: -597.551816 where: bonds (distance) C4'-P energy: -111.182 bonds (distance) P-C4' energy: -120.690 flat angles C4'-P-C4' energy: -134.208 flat angles P-C4'-P energy: -74.594 tors. eta vs tors. theta energy: -156.879 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: 3, replica: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1549.429715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.429715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.429715 (E_RNA) where: Base-Base interactions energy: -991.336 where: short stacking energy: -431.622 Base-Backbone interact. energy: -0.264 local terms energy: -557.829980 where: bonds (distance) C4'-P energy: -112.082 bonds (distance) P-C4' energy: -114.076 flat angles C4'-P-C4' energy: -128.295 flat angles P-C4'-P energy: -79.469 tors. eta vs tors. theta energy: -123.907 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: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1497.677533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.677533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.677533 (E_RNA) where: Base-Base interactions energy: -960.166 where: short stacking energy: -430.327 Base-Backbone interact. energy: -3.108 local terms energy: -534.403226 where: bonds (distance) C4'-P energy: -104.961 bonds (distance) P-C4' energy: -107.299 flat angles C4'-P-C4' energy: -118.682 flat angles P-C4'-P energy: -97.010 tors. eta vs tors. theta energy: -106.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1311.982820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.982820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.982820 (E_RNA) where: Base-Base interactions energy: -813.467 where: short stacking energy: -379.804 Base-Backbone interact. energy: 0.559 local terms energy: -499.075273 where: bonds (distance) C4'-P energy: -110.547 bonds (distance) P-C4' energy: -94.118 flat angles C4'-P-C4' energy: -122.665 flat angles P-C4'-P energy: -73.859 tors. eta vs tors. theta energy: -97.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1119.914324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.914324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.914324 (E_RNA) where: Base-Base interactions energy: -651.605 where: short stacking energy: -333.181 Base-Backbone interact. energy: -0.569 local terms energy: -467.740700 where: bonds (distance) C4'-P energy: -113.792 bonds (distance) P-C4' energy: -108.647 flat angles C4'-P-C4' energy: -116.576 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: -70.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1058.944653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.944653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.944653 (E_RNA) where: Base-Base interactions energy: -662.982 where: short stacking energy: -287.136 Base-Backbone interact. energy: 5.983 local terms energy: -401.945597 where: bonds (distance) C4'-P energy: -99.892 bonds (distance) P-C4' energy: -98.218 flat angles C4'-P-C4' energy: -96.988 flat angles P-C4'-P energy: -62.382 tors. eta vs tors. theta energy: -44.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -615.660200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.660200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.660200 (E_RNA) where: Base-Base interactions energy: -280.021 where: short stacking energy: -189.441 Base-Backbone interact. energy: -2.256 local terms energy: -333.383444 where: bonds (distance) C4'-P energy: -101.465 bonds (distance) P-C4' energy: -108.538 flat angles C4'-P-C4' energy: -92.432 flat angles P-C4'-P energy: -40.373 tors. eta vs tors. theta energy: 9.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -640.691725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.691725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.691725 (E_RNA) where: Base-Base interactions energy: -299.530 where: short stacking energy: -157.445 Base-Backbone interact. energy: 0.936 local terms energy: -342.097619 where: bonds (distance) C4'-P energy: -108.564 bonds (distance) P-C4' energy: -105.575 flat angles C4'-P-C4' energy: -83.517 flat angles P-C4'-P energy: -50.851 tors. eta vs tors. theta energy: 6.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -431.201591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.201591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.201591 (E_RNA) where: Base-Base interactions energy: -98.983 where: short stacking energy: -81.397 Base-Backbone interact. energy: -0.093 local terms energy: -332.125575 where: bonds (distance) C4'-P energy: -107.566 bonds (distance) P-C4' energy: -118.792 flat angles C4'-P-C4' energy: -100.760 flat angles P-C4'-P energy: -44.056 tors. eta vs tors. theta energy: 39.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1912.343743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.343743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.343743 (E_RNA) where: Base-Base interactions energy: -1274.104 where: short stacking energy: -582.913 Base-Backbone interact. energy: -3.021 local terms energy: -635.218815 where: bonds (distance) C4'-P energy: -110.251 bonds (distance) P-C4' energy: -122.711 flat angles C4'-P-C4' energy: -140.451 flat angles P-C4'-P energy: -83.492 tors. eta vs tors. theta energy: -178.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1753.785113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.785113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.785113 (E_RNA) where: Base-Base interactions energy: -1133.810 where: short stacking energy: -501.130 Base-Backbone interact. energy: -0.716 local terms energy: -619.259057 where: bonds (distance) C4'-P energy: -116.783 bonds (distance) P-C4' energy: -129.184 flat angles C4'-P-C4' energy: -131.739 flat angles P-C4'-P energy: -89.943 tors. eta vs tors. theta energy: -151.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1534.457983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.457983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.457983 (E_RNA) where: Base-Base interactions energy: -960.087 where: short stacking energy: -436.275 Base-Backbone interact. energy: -1.268 local terms energy: -573.103384 where: bonds (distance) C4'-P energy: -117.864 bonds (distance) P-C4' energy: -117.326 flat angles C4'-P-C4' energy: -130.214 flat angles P-C4'-P energy: -93.577 tors. eta vs tors. theta energy: -114.122 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: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1512.053533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.053533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.053533 (E_RNA) where: Base-Base interactions energy: -973.101 where: short stacking energy: -456.806 Base-Backbone interact. energy: -1.078 local terms energy: -537.874561 where: bonds (distance) C4'-P energy: -106.079 bonds (distance) P-C4' energy: -108.387 flat angles C4'-P-C4' energy: -119.037 flat angles P-C4'-P energy: -80.703 tors. eta vs tors. theta energy: -123.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1321.934554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.934554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.934554 (E_RNA) where: Base-Base interactions energy: -813.818 where: short stacking energy: -390.795 Base-Backbone interact. energy: -2.662 local terms energy: -505.454155 where: bonds (distance) C4'-P energy: -102.600 bonds (distance) P-C4' energy: -115.481 flat angles C4'-P-C4' energy: -111.446 flat angles P-C4'-P energy: -76.548 tors. eta vs tors. theta energy: -99.379 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: 5 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1124.044268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.044268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.044268 (E_RNA) where: Base-Base interactions energy: -657.655 where: short stacking energy: -324.233 Base-Backbone interact. energy: 0.010 local terms energy: -466.398784 where: bonds (distance) C4'-P energy: -92.216 bonds (distance) P-C4' energy: -109.188 flat angles C4'-P-C4' energy: -111.039 flat angles P-C4'-P energy: -70.405 tors. eta vs tors. theta energy: -83.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1073.209106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.209106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.209106 (E_RNA) where: Base-Base interactions energy: -643.615 where: short stacking energy: -287.294 Base-Backbone interact. energy: -3.053 local terms energy: -426.540373 where: bonds (distance) C4'-P energy: -94.882 bonds (distance) P-C4' energy: -102.407 flat angles C4'-P-C4' energy: -105.733 flat angles P-C4'-P energy: -79.339 tors. eta vs tors. theta energy: -44.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -612.012105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.012105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.012105 (E_RNA) where: Base-Base interactions energy: -250.161 where: short stacking energy: -186.225 Base-Backbone interact. energy: 2.276 local terms energy: -364.126586 where: bonds (distance) C4'-P energy: -100.384 bonds (distance) P-C4' energy: -103.070 flat angles C4'-P-C4' energy: -91.265 flat angles P-C4'-P energy: -65.072 tors. eta vs tors. theta energy: -4.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -615.004505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.004505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.004505 (E_RNA) where: Base-Base interactions energy: -293.310 where: short stacking energy: -169.547 Base-Backbone interact. energy: -2.374 local terms energy: -319.320923 where: bonds (distance) C4'-P energy: -102.425 bonds (distance) P-C4' energy: -101.167 flat angles C4'-P-C4' energy: -81.314 flat angles P-C4'-P energy: -45.365 tors. eta vs tors. theta energy: 10.950 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: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -454.831167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.831167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.831167 (E_RNA) where: Base-Base interactions energy: -171.600 where: short stacking energy: -130.053 Base-Backbone interact. energy: -0.523 local terms energy: -282.707736 where: bonds (distance) C4'-P energy: -94.735 bonds (distance) P-C4' energy: -110.310 flat angles C4'-P-C4' energy: -76.113 flat angles P-C4'-P energy: -20.807 tors. eta vs tors. theta energy: 19.257 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: 1, replica: 10 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1887.559885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.559885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.559885 (E_RNA) where: Base-Base interactions energy: -1239.539 where: short stacking energy: -563.516 Base-Backbone interact. energy: 0.807 local terms energy: -648.827193 where: bonds (distance) C4'-P energy: -123.038 bonds (distance) P-C4' energy: -117.974 flat angles C4'-P-C4' energy: -142.282 flat angles P-C4'-P energy: -88.252 tors. eta vs tors. theta energy: -177.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1745.334277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.334277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.334277 (E_RNA) where: Base-Base interactions energy: -1151.639 where: short stacking energy: -481.163 Base-Backbone interact. energy: -4.793 local terms energy: -588.902239 where: bonds (distance) C4'-P energy: -125.906 bonds (distance) P-C4' energy: -126.736 flat angles C4'-P-C4' energy: -118.994 flat angles P-C4'-P energy: -88.734 tors. eta vs tors. theta energy: -128.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1523.311403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.311403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.311403 (E_RNA) where: Base-Base interactions energy: -965.887 where: short stacking energy: -459.277 Base-Backbone interact. energy: -2.242 local terms energy: -555.182064 where: bonds (distance) C4'-P energy: -109.163 bonds (distance) P-C4' energy: -128.015 flat angles C4'-P-C4' energy: -117.334 flat angles P-C4'-P energy: -76.078 tors. eta vs tors. theta energy: -124.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1584.527786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.527786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.527786 (E_RNA) where: Base-Base interactions energy: -1025.869 where: short stacking energy: -472.613 Base-Backbone interact. energy: -2.815 local terms energy: -555.844246 where: bonds (distance) C4'-P energy: -107.124 bonds (distance) P-C4' energy: -120.508 flat angles C4'-P-C4' energy: -106.894 flat angles P-C4'-P energy: -85.907 tors. eta vs tors. theta energy: -135.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1330.499786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.499786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.499786 (E_RNA) where: Base-Base interactions energy: -833.100 where: short stacking energy: -361.748 Base-Backbone interact. energy: 0.394 local terms energy: -497.793903 where: bonds (distance) C4'-P energy: -114.119 bonds (distance) P-C4' energy: -113.434 flat angles C4'-P-C4' energy: -111.864 flat angles P-C4'-P energy: -63.217 tors. eta vs tors. theta energy: -95.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1116.991409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.991409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.991409 (E_RNA) where: Base-Base interactions energy: -663.500 where: short stacking energy: -325.314 Base-Backbone interact. energy: 0.542 local terms energy: -454.032774 where: bonds (distance) C4'-P energy: -99.576 bonds (distance) P-C4' energy: -116.554 flat angles C4'-P-C4' energy: -112.091 flat angles P-C4'-P energy: -56.164 tors. eta vs tors. theta energy: -69.647 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: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -985.221044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.221044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.221044 (E_RNA) where: Base-Base interactions energy: -565.478 where: short stacking energy: -264.771 Base-Backbone interact. energy: 0.150 local terms energy: -419.893342 where: bonds (distance) C4'-P energy: -101.712 bonds (distance) P-C4' energy: -99.729 flat angles C4'-P-C4' energy: -118.254 flat angles P-C4'-P energy: -64.724 tors. eta vs tors. theta energy: -35.473 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: 8 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -646.452813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.452813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.452813 (E_RNA) where: Base-Base interactions energy: -293.172 where: short stacking energy: -205.561 Base-Backbone interact. energy: -1.339 local terms energy: -351.941725 where: bonds (distance) C4'-P energy: -104.762 bonds (distance) P-C4' energy: -100.385 flat angles C4'-P-C4' energy: -111.082 flat angles P-C4'-P energy: -37.229 tors. eta vs tors. theta energy: 1.517 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: 6 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -526.740667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.740667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.740667 (E_RNA) where: Base-Base interactions energy: -178.981 where: short stacking energy: -154.210 Base-Backbone interact. energy: 6.089 local terms energy: -353.848208 where: bonds (distance) C4'-P energy: -91.230 bonds (distance) P-C4' energy: -116.284 flat angles C4'-P-C4' energy: -94.802 flat angles P-C4'-P energy: -63.241 tors. eta vs tors. theta energy: 11.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -476.097853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.097853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.097853 (E_RNA) where: Base-Base interactions energy: -171.722 where: short stacking energy: -140.601 Base-Backbone interact. energy: -0.956 local terms energy: -303.420611 where: bonds (distance) C4'-P energy: -79.101 bonds (distance) P-C4' energy: -107.733 flat angles C4'-P-C4' energy: -77.539 flat angles P-C4'-P energy: -66.566 tors. eta vs tors. theta energy: 27.519 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: 1, replica: 10 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1930.707163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.707163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.707163 (E_RNA) where: Base-Base interactions energy: -1288.927 where: short stacking energy: -575.505 Base-Backbone interact. energy: -2.171 local terms energy: -639.609558 where: bonds (distance) C4'-P energy: -113.857 bonds (distance) P-C4' energy: -115.335 flat angles C4'-P-C4' energy: -141.541 flat angles P-C4'-P energy: -103.711 tors. eta vs tors. theta energy: -165.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1746.529867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.529867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.529867 (E_RNA) where: Base-Base interactions energy: -1141.084 where: short stacking energy: -453.374 Base-Backbone interact. energy: -2.498 local terms energy: -602.947879 where: bonds (distance) C4'-P energy: -117.610 bonds (distance) P-C4' energy: -119.358 flat angles C4'-P-C4' energy: -138.605 flat angles P-C4'-P energy: -97.503 tors. eta vs tors. theta energy: -129.872 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: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1671.306944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.306944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.306944 (E_RNA) where: Base-Base interactions energy: -1069.230 where: short stacking energy: -461.612 Base-Backbone interact. energy: -1.712 local terms energy: -600.365042 where: bonds (distance) C4'-P energy: -124.155 bonds (distance) P-C4' energy: -128.670 flat angles C4'-P-C4' energy: -127.474 flat angles P-C4'-P energy: -89.714 tors. eta vs tors. theta energy: -130.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1442.910330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.910330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.910330 (E_RNA) where: Base-Base interactions energy: -905.186 where: short stacking energy: -421.026 Base-Backbone interact. energy: -1.124 local terms energy: -536.599616 where: bonds (distance) C4'-P energy: -123.641 bonds (distance) P-C4' energy: -120.386 flat angles C4'-P-C4' energy: -116.080 flat angles P-C4'-P energy: -80.247 tors. eta vs tors. theta energy: -96.245 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: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1343.615947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.615947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.615947 (E_RNA) where: Base-Base interactions energy: -834.629 where: short stacking energy: -373.167 Base-Backbone interact. energy: -2.205 local terms energy: -506.782061 where: bonds (distance) C4'-P energy: -103.277 bonds (distance) P-C4' energy: -117.171 flat angles C4'-P-C4' energy: -127.873 flat angles P-C4'-P energy: -53.957 tors. eta vs tors. theta energy: -104.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1182.031987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.031987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.031987 (E_RNA) where: Base-Base interactions energy: -716.151 where: short stacking energy: -361.321 Base-Backbone interact. energy: -2.726 local terms energy: -463.154188 where: bonds (distance) C4'-P energy: -86.267 bonds (distance) P-C4' energy: -113.996 flat angles C4'-P-C4' energy: -108.281 flat angles P-C4'-P energy: -65.045 tors. eta vs tors. theta energy: -89.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -947.982729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.982729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.982729 (E_RNA) where: Base-Base interactions energy: -547.638 where: short stacking energy: -260.723 Base-Backbone interact. energy: 0.505 local terms energy: -400.849831 where: bonds (distance) C4'-P energy: -97.838 bonds (distance) P-C4' energy: -109.856 flat angles C4'-P-C4' energy: -98.018 flat angles P-C4'-P energy: -61.906 tors. eta vs tors. theta energy: -33.232 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: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -690.223586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.223586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.223586 (E_RNA) where: Base-Base interactions energy: -347.761 where: short stacking energy: -181.542 Base-Backbone interact. energy: -0.602 local terms energy: -341.860611 where: bonds (distance) C4'-P energy: -82.704 bonds (distance) P-C4' energy: -101.766 flat angles C4'-P-C4' energy: -84.174 flat angles P-C4'-P energy: -57.106 tors. eta vs tors. theta energy: -16.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -558.223805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.223805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.223805 (E_RNA) where: Base-Base interactions energy: -226.965 where: short stacking energy: -176.825 Base-Backbone interact. energy: -1.650 local terms energy: -329.608893 where: bonds (distance) C4'-P energy: -100.309 bonds (distance) P-C4' energy: -99.372 flat angles C4'-P-C4' energy: -98.752 flat angles P-C4'-P energy: -41.693 tors. eta vs tors. theta energy: 10.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -493.474869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.474869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.474869 (E_RNA) where: Base-Base interactions energy: -176.203 where: short stacking energy: -132.036 Base-Backbone interact. energy: -1.243 local terms energy: -316.028948 where: bonds (distance) C4'-P energy: -98.712 bonds (distance) P-C4' energy: -110.880 flat angles C4'-P-C4' energy: -90.248 flat angles P-C4'-P energy: -34.693 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: 1, replica: 10 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1939.163909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.163909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.163909 (E_RNA) where: Base-Base interactions energy: -1300.642 where: short stacking energy: -562.262 Base-Backbone interact. energy: -3.532 local terms energy: -634.990138 where: bonds (distance) C4'-P energy: -131.553 bonds (distance) P-C4' energy: -123.561 flat angles C4'-P-C4' energy: -134.265 flat angles P-C4'-P energy: -79.049 tors. eta vs tors. theta energy: -166.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1786.762347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.762347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.762347 (E_RNA) where: Base-Base interactions energy: -1164.771 where: short stacking energy: -519.426 Base-Backbone interact. energy: -3.869 local terms energy: -618.122649 where: bonds (distance) C4'-P energy: -108.380 bonds (distance) P-C4' energy: -115.199 flat angles C4'-P-C4' energy: -133.819 flat angles P-C4'-P energy: -94.423 tors. eta vs tors. theta energy: -166.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1731.750353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.750353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.750353 (E_RNA) where: Base-Base interactions energy: -1133.811 where: short stacking energy: -483.338 Base-Backbone interact. energy: -2.688 local terms energy: -595.251402 where: bonds (distance) C4'-P energy: -114.819 bonds (distance) P-C4' energy: -124.685 flat angles C4'-P-C4' energy: -127.877 flat angles P-C4'-P energy: -82.737 tors. eta vs tors. theta energy: -145.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1487.231033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.231033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.231033 (E_RNA) where: Base-Base interactions energy: -932.540 where: short stacking energy: -420.392 Base-Backbone interact. energy: -4.042 local terms energy: -550.648531 where: bonds (distance) C4'-P energy: -118.498 bonds (distance) P-C4' energy: -115.089 flat angles C4'-P-C4' energy: -122.142 flat angles P-C4'-P energy: -85.153 tors. eta vs tors. theta energy: -109.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1309.498515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.498515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.498515 (E_RNA) where: Base-Base interactions energy: -826.610 where: short stacking energy: -387.016 Base-Backbone interact. energy: 1.672 local terms energy: -484.560510 where: bonds (distance) C4'-P energy: -110.978 bonds (distance) P-C4' energy: -103.891 flat angles C4'-P-C4' energy: -115.245 flat angles P-C4'-P energy: -63.079 tors. eta vs tors. theta energy: -91.367 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: 5 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1217.289434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.289434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.289434 (E_RNA) where: Base-Base interactions energy: -733.811 where: short stacking energy: -369.317 Base-Backbone interact. energy: -2.299 local terms energy: -481.178841 where: bonds (distance) C4'-P energy: -101.036 bonds (distance) P-C4' energy: -107.506 flat angles C4'-P-C4' energy: -114.209 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: -94.486 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: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -937.837323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.837323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.837323 (E_RNA) where: Base-Base interactions energy: -524.762 where: short stacking energy: -250.801 Base-Backbone interact. energy: -0.871 local terms energy: -412.204425 where: bonds (distance) C4'-P energy: -102.772 bonds (distance) P-C4' energy: -114.200 flat angles C4'-P-C4' energy: -98.272 flat angles P-C4'-P energy: -70.856 tors. eta vs tors. theta energy: -26.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -682.640257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.640257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.640257 (E_RNA) where: Base-Base interactions energy: -334.720 where: short stacking energy: -210.487 Base-Backbone interact. energy: -2.707 local terms energy: -345.213710 where: bonds (distance) C4'-P energy: -82.512 bonds (distance) P-C4' energy: -101.187 flat angles C4'-P-C4' energy: -65.278 flat angles P-C4'-P energy: -62.265 tors. eta vs tors. theta energy: -33.971 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: 43 Temperature: 1.300000 Total energy: -576.602218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.602218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.602218 (E_RNA) where: Base-Base interactions energy: -228.746 where: short stacking energy: -147.573 Base-Backbone interact. energy: -3.306 local terms energy: -344.550010 where: bonds (distance) C4'-P energy: -88.111 bonds (distance) P-C4' energy: -104.073 flat angles C4'-P-C4' energy: -99.006 flat angles P-C4'-P energy: -52.750 tors. eta vs tors. theta energy: -0.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -500.442908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.442908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.442908 (E_RNA) where: Base-Base interactions energy: -191.743 where: short stacking energy: -130.380 Base-Backbone interact. energy: -1.380 local terms energy: -307.319759 where: bonds (distance) C4'-P energy: -97.523 bonds (distance) P-C4' energy: -93.525 flat angles C4'-P-C4' energy: -91.222 flat angles P-C4'-P energy: -43.629 tors. eta vs tors. theta energy: 18.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1906.864256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.864256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.864256 (E_RNA) where: Base-Base interactions energy: -1256.070 where: short stacking energy: -546.786 Base-Backbone interact. energy: -2.810 local terms energy: -647.984355 where: bonds (distance) C4'-P energy: -110.067 bonds (distance) P-C4' energy: -130.681 flat angles C4'-P-C4' energy: -145.303 flat angles P-C4'-P energy: -101.087 tors. eta vs tors. theta energy: -160.846 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: 4 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1783.339276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.339276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.339276 (E_RNA) where: Base-Base interactions energy: -1175.775 where: short stacking energy: -507.533 Base-Backbone interact. energy: -0.621 local terms energy: -606.942587 where: bonds (distance) C4'-P energy: -119.400 bonds (distance) P-C4' energy: -126.600 flat angles C4'-P-C4' energy: -137.192 flat angles P-C4'-P energy: -70.603 tors. eta vs tors. theta energy: -153.146 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: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1802.424557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.424557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.424557 (E_RNA) where: Base-Base interactions energy: -1211.656 where: short stacking energy: -527.106 Base-Backbone interact. energy: -1.156 local terms energy: -589.613064 where: bonds (distance) C4'-P energy: -117.844 bonds (distance) P-C4' energy: -121.278 flat angles C4'-P-C4' energy: -122.992 flat angles P-C4'-P energy: -75.166 tors. eta vs tors. theta energy: -152.334 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: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1515.535102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.535102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.535102 (E_RNA) where: Base-Base interactions energy: -983.216 where: short stacking energy: -443.466 Base-Backbone interact. energy: 3.111 local terms energy: -535.430339 where: bonds (distance) C4'-P energy: -110.004 bonds (distance) P-C4' energy: -126.675 flat angles C4'-P-C4' energy: -117.341 flat angles P-C4'-P energy: -71.976 tors. eta vs tors. theta energy: -109.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1321.264706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.264706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.264706 (E_RNA) where: Base-Base interactions energy: -836.091 where: short stacking energy: -402.901 Base-Backbone interact. energy: 0.464 local terms energy: -485.638461 where: bonds (distance) C4'-P energy: -93.797 bonds (distance) P-C4' energy: -99.598 flat angles C4'-P-C4' energy: -112.348 flat angles P-C4'-P energy: -71.244 tors. eta vs tors. theta energy: -108.651 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: 6, replica: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1200.562533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.562533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.562533 (E_RNA) where: Base-Base interactions energy: -699.214 where: short stacking energy: -338.107 Base-Backbone interact. energy: -1.897 local terms energy: -499.451631 where: bonds (distance) C4'-P energy: -90.275 bonds (distance) P-C4' energy: -117.588 flat angles C4'-P-C4' energy: -124.225 flat angles P-C4'-P energy: -72.915 tors. eta vs tors. theta energy: -94.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -985.085717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.085717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.085717 (E_RNA) where: Base-Base interactions energy: -550.210 where: short stacking energy: -274.230 Base-Backbone interact. energy: 2.185 local terms energy: -437.060692 where: bonds (distance) C4'-P energy: -116.888 bonds (distance) P-C4' energy: -88.608 flat angles C4'-P-C4' energy: -124.985 flat angles P-C4'-P energy: -65.003 tors. eta vs tors. theta energy: -41.577 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: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -680.404580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.404580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.404580 (E_RNA) where: Base-Base interactions energy: -342.610 where: short stacking energy: -171.247 Base-Backbone interact. energy: -1.189 local terms energy: -336.606342 where: bonds (distance) C4'-P energy: -94.382 bonds (distance) P-C4' energy: -100.686 flat angles C4'-P-C4' energy: -92.257 flat angles P-C4'-P energy: -56.574 tors. eta vs tors. theta energy: 7.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -545.237857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.237857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.237857 (E_RNA) where: Base-Base interactions energy: -230.656 where: short stacking energy: -150.033 Base-Backbone interact. energy: 5.923 local terms energy: -320.504863 where: bonds (distance) C4'-P energy: -107.110 bonds (distance) P-C4' energy: -101.743 flat angles C4'-P-C4' energy: -90.114 flat angles P-C4'-P energy: -42.044 tors. eta vs tors. theta energy: 20.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -474.149580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.149580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.149580 (E_RNA) where: Base-Base interactions energy: -155.429 where: short stacking energy: -129.459 Base-Backbone interact. energy: 2.603 local terms energy: -321.323512 where: bonds (distance) C4'-P energy: -90.103 bonds (distance) P-C4' energy: -100.124 flat angles C4'-P-C4' energy: -99.661 flat angles P-C4'-P energy: -44.785 tors. eta vs tors. theta energy: 13.350 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: 10 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1929.597338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.597338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.597338 (E_RNA) where: Base-Base interactions energy: -1289.180 where: short stacking energy: -544.819 Base-Backbone interact. energy: -0.710 local terms energy: -639.707154 where: bonds (distance) C4'-P energy: -121.756 bonds (distance) P-C4' energy: -124.061 flat angles C4'-P-C4' energy: -131.107 flat angles P-C4'-P energy: -86.738 tors. eta vs tors. theta energy: -176.045 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: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1800.459275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.459275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.459275 (E_RNA) where: Base-Base interactions energy: -1167.614 where: short stacking energy: -491.246 Base-Backbone interact. energy: -4.856 local terms energy: -627.989144 where: bonds (distance) C4'-P energy: -123.314 bonds (distance) P-C4' energy: -123.053 flat angles C4'-P-C4' energy: -142.552 flat angles P-C4'-P energy: -83.201 tors. eta vs tors. theta energy: -155.870 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: 45 Temperature: 1.000000 Total energy: -1790.644790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.644790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.644790 (E_RNA) where: Base-Base interactions energy: -1171.465 where: short stacking energy: -504.920 Base-Backbone interact. energy: 2.976 local terms energy: -622.156206 where: bonds (distance) C4'-P energy: -126.374 bonds (distance) P-C4' energy: -121.766 flat angles C4'-P-C4' energy: -132.597 flat angles P-C4'-P energy: -95.103 tors. eta vs tors. theta energy: -146.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1549.977097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.977097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.977097 (E_RNA) where: Base-Base interactions energy: -997.842 where: short stacking energy: -463.480 Base-Backbone interact. energy: -2.510 local terms energy: -549.625304 where: bonds (distance) C4'-P energy: -125.561 bonds (distance) P-C4' energy: -105.585 flat angles C4'-P-C4' energy: -115.397 flat angles P-C4'-P energy: -69.197 tors. eta vs tors. theta energy: -133.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1250.297471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.297471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.297471 (E_RNA) where: Base-Base interactions energy: -750.925 where: short stacking energy: -359.983 Base-Backbone interact. energy: 1.877 local terms energy: -501.249892 where: bonds (distance) C4'-P energy: -112.858 bonds (distance) P-C4' energy: -119.609 flat angles C4'-P-C4' energy: -117.096 flat angles P-C4'-P energy: -71.396 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: 6, replica: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1237.208323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.208323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.208323 (E_RNA) where: Base-Base interactions energy: -762.256 where: short stacking energy: -363.146 Base-Backbone interact. energy: -2.941 local terms energy: -472.011512 where: bonds (distance) C4'-P energy: -101.506 bonds (distance) P-C4' energy: -109.009 flat angles C4'-P-C4' energy: -110.778 flat angles P-C4'-P energy: -61.546 tors. eta vs tors. theta energy: -89.172 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: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -986.334954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.334954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.334954 (E_RNA) where: Base-Base interactions energy: -535.214 where: short stacking energy: -254.334 Base-Backbone interact. energy: 1.495 local terms energy: -452.615579 where: bonds (distance) C4'-P energy: -120.108 bonds (distance) P-C4' energy: -128.598 flat angles C4'-P-C4' energy: -111.190 flat angles P-C4'-P energy: -61.339 tors. eta vs tors. theta energy: -31.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -627.167641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.167641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.167641 (E_RNA) where: Base-Base interactions energy: -302.802 where: short stacking energy: -198.138 Base-Backbone interact. energy: 2.668 local terms energy: -327.033622 where: bonds (distance) C4'-P energy: -88.834 bonds (distance) P-C4' energy: -101.574 flat angles C4'-P-C4' energy: -75.380 flat angles P-C4'-P energy: -63.993 tors. eta vs tors. theta energy: 2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -580.172278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.172278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.172278 (E_RNA) where: Base-Base interactions energy: -253.550 where: short stacking energy: -137.187 Base-Backbone interact. energy: -3.629 local terms energy: -322.993611 where: bonds (distance) C4'-P energy: -77.667 bonds (distance) P-C4' energy: -110.147 flat angles C4'-P-C4' energy: -94.864 flat angles P-C4'-P energy: -54.652 tors. eta vs tors. theta energy: 14.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -461.335815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.335815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.335815 (E_RNA) where: Base-Base interactions energy: -146.029 where: short stacking energy: -106.855 Base-Backbone interact. energy: -1.983 local terms energy: -313.323868 where: bonds (distance) C4'-P energy: -94.660 bonds (distance) P-C4' energy: -105.417 flat angles C4'-P-C4' energy: -81.582 flat angles P-C4'-P energy: -50.628 tors. eta vs tors. theta energy: 18.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1909.528002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.528002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.528002 (E_RNA) where: Base-Base interactions energy: -1267.074 where: short stacking energy: -545.212 Base-Backbone interact. energy: -0.564 local terms energy: -641.889612 where: bonds (distance) C4'-P energy: -128.203 bonds (distance) P-C4' energy: -123.834 flat angles C4'-P-C4' energy: -134.515 flat angles P-C4'-P energy: -94.233 tors. eta vs tors. theta energy: -161.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1738.467977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.467977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.467977 (E_RNA) where: Base-Base interactions energy: -1161.449 where: short stacking energy: -494.488 Base-Backbone interact. energy: -2.985 local terms energy: -574.033598 where: bonds (distance) C4'-P energy: -117.609 bonds (distance) P-C4' energy: -119.766 flat angles C4'-P-C4' energy: -121.555 flat angles P-C4'-P energy: -75.393 tors. eta vs tors. theta energy: -139.711 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: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1779.254646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.254646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.254646 (E_RNA) where: Base-Base interactions energy: -1185.361 where: short stacking energy: -501.750 Base-Backbone interact. energy: -1.710 local terms energy: -592.183366 where: bonds (distance) C4'-P energy: -111.657 bonds (distance) P-C4' energy: -121.383 flat angles C4'-P-C4' energy: -134.013 flat angles P-C4'-P energy: -78.386 tors. eta vs tors. theta energy: -146.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1536.242496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.242496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.242496 (E_RNA) where: Base-Base interactions energy: -996.082 where: short stacking energy: -433.511 Base-Backbone interact. energy: -1.705 local terms energy: -538.455583 where: bonds (distance) C4'-P energy: -113.134 bonds (distance) P-C4' energy: -109.734 flat angles C4'-P-C4' energy: -126.004 flat angles P-C4'-P energy: -77.986 tors. eta vs tors. theta energy: -111.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1385.781687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.781687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.781687 (E_RNA) where: Base-Base interactions energy: -877.390 where: short stacking energy: -406.894 Base-Backbone interact. energy: -2.588 local terms energy: -505.803481 where: bonds (distance) C4'-P energy: -105.576 bonds (distance) P-C4' energy: -115.655 flat angles C4'-P-C4' energy: -122.780 flat angles P-C4'-P energy: -69.582 tors. eta vs tors. theta energy: -92.210 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: 1 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1186.752213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.752213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.752213 (E_RNA) where: Base-Base interactions energy: -694.758 where: short stacking energy: -323.474 Base-Backbone interact. energy: 0.300 local terms energy: -492.294761 where: bonds (distance) C4'-P energy: -110.364 bonds (distance) P-C4' energy: -122.417 flat angles C4'-P-C4' energy: -115.119 flat angles P-C4'-P energy: -73.650 tors. eta vs tors. theta energy: -70.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1081.735684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.735684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.735684 (E_RNA) where: Base-Base interactions energy: -644.909 where: short stacking energy: -294.197 Base-Backbone interact. energy: -2.970 local terms energy: -433.856012 where: bonds (distance) C4'-P energy: -117.180 bonds (distance) P-C4' energy: -112.917 flat angles C4'-P-C4' energy: -102.522 flat angles P-C4'-P energy: -50.782 tors. eta vs tors. theta energy: -50.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -699.779276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.779276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.779276 (E_RNA) where: Base-Base interactions energy: -332.241 where: short stacking energy: -212.690 Base-Backbone interact. energy: 0.506 local terms energy: -368.043686 where: bonds (distance) C4'-P energy: -97.665 bonds (distance) P-C4' energy: -116.950 flat angles C4'-P-C4' energy: -96.458 flat angles P-C4'-P energy: -65.833 tors. eta vs tors. theta energy: 8.862 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: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -611.446766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.446766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.446766 (E_RNA) where: Base-Base interactions energy: -277.847 where: short stacking energy: -161.322 Base-Backbone interact. energy: 1.664 local terms energy: -335.263410 where: bonds (distance) C4'-P energy: -84.367 bonds (distance) P-C4' energy: -115.301 flat angles C4'-P-C4' energy: -79.529 flat angles P-C4'-P energy: -65.955 tors. eta vs tors. theta energy: 9.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -473.321384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.321384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.321384 (E_RNA) where: Base-Base interactions energy: -176.561 where: short stacking energy: -132.199 Base-Backbone interact. energy: 5.617 local terms energy: -302.377577 where: bonds (distance) C4'-P energy: -101.832 bonds (distance) P-C4' energy: -89.589 flat angles C4'-P-C4' energy: -91.355 flat angles P-C4'-P energy: -41.134 tors. eta vs tors. theta energy: 21.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1905.983886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.983886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.983886 (E_RNA) where: Base-Base interactions energy: -1271.900 where: short stacking energy: -541.910 Base-Backbone interact. energy: 1.607 local terms energy: -635.691057 where: bonds (distance) C4'-P energy: -126.619 bonds (distance) P-C4' energy: -136.497 flat angles C4'-P-C4' energy: -127.649 flat angles P-C4'-P energy: -92.044 tors. eta vs tors. theta energy: -152.881 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: 2, replica: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1828.587815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.587815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.587815 (E_RNA) where: Base-Base interactions energy: -1222.416 where: short stacking energy: -527.818 Base-Backbone interact. energy: 0.104 local terms energy: -606.275227 where: bonds (distance) C4'-P energy: -109.240 bonds (distance) P-C4' energy: -115.823 flat angles C4'-P-C4' energy: -134.581 flat angles P-C4'-P energy: -92.801 tors. eta vs tors. theta energy: -153.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1697.486082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.486082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.486082 (E_RNA) where: Base-Base interactions energy: -1108.486 where: short stacking energy: -472.435 Base-Backbone interact. energy: 3.500 local terms energy: -592.500191 where: bonds (distance) C4'-P energy: -123.411 bonds (distance) P-C4' energy: -117.535 flat angles C4'-P-C4' energy: -126.647 flat angles P-C4'-P energy: -81.523 tors. eta vs tors. theta energy: -143.384 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: 47 Temperature: 1.050000 Total energy: -1470.812220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.812220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.812220 (E_RNA) where: Base-Base interactions energy: -965.438 where: short stacking energy: -451.899 Base-Backbone interact. energy: -0.025 local terms energy: -505.348693 where: bonds (distance) C4'-P energy: -95.743 bonds (distance) P-C4' energy: -123.149 flat angles C4'-P-C4' energy: -108.482 flat angles P-C4'-P energy: -64.597 tors. eta vs tors. theta energy: -113.378 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: 5 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1465.040380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.040380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.040380 (E_RNA) where: Base-Base interactions energy: -950.810 where: short stacking energy: -412.575 Base-Backbone interact. energy: -2.343 local terms energy: -511.887447 where: bonds (distance) C4'-P energy: -112.634 bonds (distance) P-C4' energy: -103.487 flat angles C4'-P-C4' energy: -119.468 flat angles P-C4'-P energy: -74.534 tors. eta vs tors. theta energy: -101.765 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: 6, replica: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1163.250135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.250135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.250135 (E_RNA) where: Base-Base interactions energy: -676.188 where: short stacking energy: -352.195 Base-Backbone interact. energy: -0.966 local terms energy: -486.095856 where: bonds (distance) C4'-P energy: -110.022 bonds (distance) P-C4' energy: -102.085 flat angles C4'-P-C4' energy: -108.175 flat angles P-C4'-P energy: -78.045 tors. eta vs tors. theta energy: -87.769 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: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1104.295405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.295405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.295405 (E_RNA) where: Base-Base interactions energy: -663.472 where: short stacking energy: -304.718 Base-Backbone interact. energy: 0.781 local terms energy: -441.604513 where: bonds (distance) C4'-P energy: -107.039 bonds (distance) P-C4' energy: -109.078 flat angles C4'-P-C4' energy: -111.270 flat angles P-C4'-P energy: -52.297 tors. eta vs tors. theta energy: -61.920 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: 8, replica: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -614.523499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.523499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.523499 (E_RNA) where: Base-Base interactions energy: -281.260 where: short stacking energy: -174.026 Base-Backbone interact. energy: 1.981 local terms energy: -335.244237 where: bonds (distance) C4'-P energy: -98.447 bonds (distance) P-C4' energy: -109.584 flat angles C4'-P-C4' energy: -77.041 flat angles P-C4'-P energy: -56.658 tors. eta vs tors. theta energy: 6.485 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: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -605.032977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.032977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.032977 (E_RNA) where: Base-Base interactions energy: -268.939 where: short stacking energy: -160.847 Base-Backbone interact. energy: -0.723 local terms energy: -335.371024 where: bonds (distance) C4'-P energy: -110.562 bonds (distance) P-C4' energy: -98.549 flat angles C4'-P-C4' energy: -78.245 flat angles P-C4'-P energy: -61.321 tors. eta vs tors. theta energy: 13.306 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: 6 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -453.307593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.307593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.307593 (E_RNA) where: Base-Base interactions energy: -148.984 where: short stacking energy: -122.187 Base-Backbone interact. energy: 6.202 local terms energy: -310.525654 where: bonds (distance) C4'-P energy: -90.666 bonds (distance) P-C4' energy: -113.013 flat angles C4'-P-C4' energy: -71.243 flat angles P-C4'-P energy: -45.732 tors. eta vs tors. theta energy: 10.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1916.779229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.779229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.779229 (E_RNA) where: Base-Base interactions energy: -1292.577 where: short stacking energy: -520.254 Base-Backbone interact. energy: -2.577 local terms energy: -621.624319 where: bonds (distance) C4'-P energy: -116.721 bonds (distance) P-C4' energy: -137.542 flat angles C4'-P-C4' energy: -124.677 flat angles P-C4'-P energy: -93.616 tors. eta vs tors. theta energy: -149.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1845.444187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.444187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.444187 (E_RNA) where: Base-Base interactions energy: -1231.846 where: short stacking energy: -527.698 Base-Backbone interact. energy: -3.147 local terms energy: -610.451188 where: bonds (distance) C4'-P energy: -105.711 bonds (distance) P-C4' energy: -123.301 flat angles C4'-P-C4' energy: -135.900 flat angles P-C4'-P energy: -94.018 tors. eta vs tors. theta energy: -151.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1697.067628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.067628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.067628 (E_RNA) where: Base-Base interactions energy: -1119.562 where: short stacking energy: -475.315 Base-Backbone interact. energy: -3.359 local terms energy: -574.147132 where: bonds (distance) C4'-P energy: -117.164 bonds (distance) P-C4' energy: -119.476 flat angles C4'-P-C4' energy: -116.859 flat angles P-C4'-P energy: -81.224 tors. eta vs tors. theta energy: -139.425 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: 4, replica: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1485.268231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.268231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.268231 (E_RNA) where: Base-Base interactions energy: -908.110 where: short stacking energy: -413.280 Base-Backbone interact. energy: -0.906 local terms energy: -576.251940 where: bonds (distance) C4'-P energy: -121.927 bonds (distance) P-C4' energy: -124.515 flat angles C4'-P-C4' energy: -128.218 flat angles P-C4'-P energy: -85.141 tors. eta vs tors. theta energy: -116.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1519.389740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.389740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.389740 (E_RNA) where: Base-Base interactions energy: -1002.519 where: short stacking energy: -438.241 Base-Backbone interact. energy: -1.868 local terms energy: -515.003662 where: bonds (distance) C4'-P energy: -91.487 bonds (distance) P-C4' energy: -118.184 flat angles C4'-P-C4' energy: -121.536 flat angles P-C4'-P energy: -73.206 tors. eta vs tors. theta energy: -110.590 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: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1171.317520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.317520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.317520 (E_RNA) where: Base-Base interactions energy: -667.192 where: short stacking energy: -362.148 Base-Backbone interact. energy: 2.164 local terms energy: -506.288733 where: bonds (distance) C4'-P energy: -98.218 bonds (distance) P-C4' energy: -120.667 flat angles C4'-P-C4' energy: -104.436 flat angles P-C4'-P energy: -87.173 tors. eta vs tors. theta energy: -95.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1083.818923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.818923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.818923 (E_RNA) where: Base-Base interactions energy: -691.764 where: short stacking energy: -314.964 Base-Backbone interact. energy: 3.874 local terms energy: -395.928919 where: bonds (distance) C4'-P energy: -110.614 bonds (distance) P-C4' energy: -98.363 flat angles C4'-P-C4' energy: -82.981 flat angles P-C4'-P energy: -54.637 tors. eta vs tors. theta energy: -49.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -675.840184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.840184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.840184 (E_RNA) where: Base-Base interactions energy: -333.184 where: short stacking energy: -214.818 Base-Backbone interact. energy: 6.409 local terms energy: -349.065663 where: bonds (distance) C4'-P energy: -111.491 bonds (distance) P-C4' energy: -110.509 flat angles C4'-P-C4' energy: -88.551 flat angles P-C4'-P energy: -49.081 tors. eta vs tors. theta energy: 10.566 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: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -645.250495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.250495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.250495 (E_RNA) where: Base-Base interactions energy: -291.506 where: short stacking energy: -209.225 Base-Backbone interact. energy: -0.345 local terms energy: -353.399018 where: bonds (distance) C4'-P energy: -91.876 bonds (distance) P-C4' energy: -108.162 flat angles C4'-P-C4' energy: -82.461 flat angles P-C4'-P energy: -75.751 tors. eta vs tors. theta energy: 4.850 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: 10, replica: 6 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -470.488386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.488386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.488386 (E_RNA) where: Base-Base interactions energy: -156.254 where: short stacking energy: -126.510 Base-Backbone interact. energy: -2.738 local terms energy: -311.495896 where: bonds (distance) C4'-P energy: -102.170 bonds (distance) P-C4' energy: -112.584 flat angles C4'-P-C4' energy: -63.323 flat angles P-C4'-P energy: -45.100 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: 10 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1924.054050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.054050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.054050 (E_RNA) where: Base-Base interactions energy: -1304.433 where: short stacking energy: -533.314 Base-Backbone interact. energy: -1.162 local terms energy: -618.458978 where: bonds (distance) C4'-P energy: -123.119 bonds (distance) P-C4' energy: -123.896 flat angles C4'-P-C4' energy: -133.974 flat angles P-C4'-P energy: -79.800 tors. eta vs tors. theta energy: -157.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1852.764462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.764462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.764462 (E_RNA) where: Base-Base interactions energy: -1208.746 where: short stacking energy: -524.203 Base-Backbone interact. energy: -3.055 local terms energy: -640.963778 where: bonds (distance) C4'-P energy: -122.729 bonds (distance) P-C4' energy: -126.008 flat angles C4'-P-C4' energy: -132.437 flat angles P-C4'-P energy: -100.076 tors. eta vs tors. theta energy: -159.714 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: 3, replica: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1650.554771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.554771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.554771 (E_RNA) where: Base-Base interactions energy: -1101.139 where: short stacking energy: -472.550 Base-Backbone interact. energy: -2.016 local terms energy: -547.400192 where: bonds (distance) C4'-P energy: -107.353 bonds (distance) P-C4' energy: -108.294 flat angles C4'-P-C4' energy: -123.077 flat angles P-C4'-P energy: -84.078 tors. eta vs tors. theta energy: -124.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1582.774436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.774436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.774436 (E_RNA) where: Base-Base interactions energy: -1008.136 where: short stacking energy: -435.677 Base-Backbone interact. energy: -1.400 local terms energy: -573.238306 where: bonds (distance) C4'-P energy: -116.825 bonds (distance) P-C4' energy: -133.222 flat angles C4'-P-C4' energy: -121.017 flat angles P-C4'-P energy: -70.907 tors. eta vs tors. theta energy: -131.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1427.460153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.460153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.460153 (E_RNA) where: Base-Base interactions energy: -896.094 where: short stacking energy: -397.538 Base-Backbone interact. energy: -1.572 local terms energy: -529.793890 where: bonds (distance) C4'-P energy: -108.155 bonds (distance) P-C4' energy: -120.724 flat angles C4'-P-C4' energy: -118.150 flat angles P-C4'-P energy: -69.283 tors. eta vs tors. theta energy: -113.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1215.444055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.444055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.444055 (E_RNA) where: Base-Base interactions energy: -707.317 where: short stacking energy: -358.145 Base-Backbone interact. energy: -1.318 local terms energy: -506.808215 where: bonds (distance) C4'-P energy: -95.063 bonds (distance) P-C4' energy: -118.785 flat angles C4'-P-C4' energy: -126.866 flat angles P-C4'-P energy: -67.255 tors. eta vs tors. theta energy: -98.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1075.713842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.713842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.713842 (E_RNA) where: Base-Base interactions energy: -646.823 where: short stacking energy: -289.854 Base-Backbone interact. energy: -2.315 local terms energy: -426.576095 where: bonds (distance) C4'-P energy: -107.179 bonds (distance) P-C4' energy: -104.167 flat angles C4'-P-C4' energy: -100.272 flat angles P-C4'-P energy: -64.510 tors. eta vs tors. theta energy: -50.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -675.302849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.302849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.302849 (E_RNA) where: Base-Base interactions energy: -308.788 where: short stacking energy: -206.130 Base-Backbone interact. energy: -2.216 local terms energy: -364.298904 where: bonds (distance) C4'-P energy: -111.150 bonds (distance) P-C4' energy: -99.007 flat angles C4'-P-C4' energy: -98.524 flat angles P-C4'-P energy: -52.421 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -658.850508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.850508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.850508 (E_RNA) where: Base-Base interactions energy: -320.942 where: short stacking energy: -174.989 Base-Backbone interact. energy: 0.206 local terms energy: -338.114745 where: bonds (distance) C4'-P energy: -109.869 bonds (distance) P-C4' energy: -101.467 flat angles C4'-P-C4' energy: -89.386 flat angles P-C4'-P energy: -44.248 tors. eta vs tors. theta energy: 6.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -479.476670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.476670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.476670 (E_RNA) where: Base-Base interactions energy: -193.321 where: short stacking energy: -109.379 Base-Backbone interact. energy: -5.367 local terms energy: -280.789178 where: bonds (distance) C4'-P energy: -89.243 bonds (distance) P-C4' energy: -106.328 flat angles C4'-P-C4' energy: -63.748 flat angles P-C4'-P energy: -45.349 tors. eta vs tors. theta energy: 23.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1916.737909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.737909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.737909 (E_RNA) where: Base-Base interactions energy: -1311.760 where: short stacking energy: -561.401 Base-Backbone interact. energy: -3.729 local terms energy: -601.249334 where: bonds (distance) C4'-P energy: -119.716 bonds (distance) P-C4' energy: -120.984 flat angles C4'-P-C4' energy: -136.907 flat angles P-C4'-P energy: -63.009 tors. eta vs tors. theta energy: -160.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1870.852286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.852286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.852286 (E_RNA) where: Base-Base interactions energy: -1251.277 where: short stacking energy: -547.985 Base-Backbone interact. energy: -1.372 local terms energy: -618.202614 where: bonds (distance) C4'-P energy: -113.676 bonds (distance) P-C4' energy: -106.810 flat angles C4'-P-C4' energy: -139.760 flat angles P-C4'-P energy: -94.478 tors. eta vs tors. theta energy: -163.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1686.839080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.839080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.839080 (E_RNA) where: Base-Base interactions energy: -1111.892 where: short stacking energy: -483.196 Base-Backbone interact. energy: -3.274 local terms energy: -571.672585 where: bonds (distance) C4'-P energy: -113.992 bonds (distance) P-C4' energy: -117.300 flat angles C4'-P-C4' energy: -126.631 flat angles P-C4'-P energy: -73.659 tors. eta vs tors. theta energy: -140.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1581.258234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.258234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.258234 (E_RNA) where: Base-Base interactions energy: -1042.240 where: short stacking energy: -446.765 Base-Backbone interact. energy: -2.124 local terms energy: -536.894615 where: bonds (distance) C4'-P energy: -113.482 bonds (distance) P-C4' energy: -112.989 flat angles C4'-P-C4' energy: -124.149 flat angles P-C4'-P energy: -65.238 tors. eta vs tors. theta energy: -121.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1413.622862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.622862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.622862 (E_RNA) where: Base-Base interactions energy: -883.977 where: short stacking energy: -415.528 Base-Backbone interact. energy: -3.573 local terms energy: -526.072944 where: bonds (distance) C4'-P energy: -109.920 bonds (distance) P-C4' energy: -115.748 flat angles C4'-P-C4' energy: -115.713 flat angles P-C4'-P energy: -80.657 tors. eta vs tors. theta energy: -104.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1020.034800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.034800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.034800 (E_RNA) where: Base-Base interactions energy: -583.348 where: short stacking energy: -308.316 Base-Backbone interact. energy: -3.466 local terms energy: -433.221544 where: bonds (distance) C4'-P energy: -110.758 bonds (distance) P-C4' energy: -91.535 flat angles C4'-P-C4' energy: -104.638 flat angles P-C4'-P energy: -64.368 tors. eta vs tors. theta energy: -61.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1105.770031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.770031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.770031 (E_RNA) where: Base-Base interactions energy: -677.083 where: short stacking energy: -318.350 Base-Backbone interact. energy: -3.115 local terms energy: -425.572597 where: bonds (distance) C4'-P energy: -96.486 bonds (distance) P-C4' energy: -114.020 flat angles C4'-P-C4' energy: -106.984 flat angles P-C4'-P energy: -52.354 tors. eta vs tors. theta energy: -55.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -698.298094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.298094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.298094 (E_RNA) where: Base-Base interactions energy: -347.479 where: short stacking energy: -187.506 Base-Backbone interact. energy: -1.301 local terms energy: -349.517380 where: bonds (distance) C4'-P energy: -100.627 bonds (distance) P-C4' energy: -100.558 flat angles C4'-P-C4' energy: -87.938 flat angles P-C4'-P energy: -45.878 tors. eta vs tors. theta energy: -14.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -625.895649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.895649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.895649 (E_RNA) where: Base-Base interactions energy: -276.919 where: short stacking energy: -157.479 Base-Backbone interact. energy: -0.578 local terms energy: -348.399306 where: bonds (distance) C4'-P energy: -102.638 bonds (distance) P-C4' energy: -114.409 flat angles C4'-P-C4' energy: -99.741 flat angles P-C4'-P energy: -47.742 tors. eta vs tors. theta energy: 16.131 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: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -489.332720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.332720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.332720 (E_RNA) where: Base-Base interactions energy: -182.071 where: short stacking energy: -144.192 Base-Backbone interact. energy: -2.096 local terms energy: -305.166130 where: bonds (distance) C4'-P energy: -89.495 bonds (distance) P-C4' energy: -118.011 flat angles C4'-P-C4' energy: -78.316 flat angles P-C4'-P energy: -36.827 tors. eta vs tors. theta energy: 17.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1952.274480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.274480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.274480 (E_RNA) where: Base-Base interactions energy: -1342.863 where: short stacking energy: -555.169 Base-Backbone interact. energy: -4.381 local terms energy: -605.031002 where: bonds (distance) C4'-P energy: -114.067 bonds (distance) P-C4' energy: -117.253 flat angles C4'-P-C4' energy: -135.091 flat angles P-C4'-P energy: -80.792 tors. eta vs tors. theta energy: -157.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1848.279918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.279918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.279918 (E_RNA) where: Base-Base interactions energy: -1230.569 where: short stacking energy: -530.790 Base-Backbone interact. energy: -2.167 local terms energy: -615.544492 where: bonds (distance) C4'-P energy: -113.198 bonds (distance) P-C4' energy: -125.944 flat angles C4'-P-C4' energy: -134.076 flat angles P-C4'-P energy: -95.504 tors. eta vs tors. theta energy: -146.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1671.787837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.787837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.787837 (E_RNA) where: Base-Base interactions energy: -1094.279 where: short stacking energy: -480.980 Base-Backbone interact. energy: -4.083 local terms energy: -573.425644 where: bonds (distance) C4'-P energy: -121.257 bonds (distance) P-C4' energy: -121.580 flat angles C4'-P-C4' energy: -123.530 flat angles P-C4'-P energy: -72.968 tors. eta vs tors. theta energy: -134.090 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: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1558.585452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.585452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.585452 (E_RNA) where: Base-Base interactions energy: -1004.587 where: short stacking energy: -467.158 Base-Backbone interact. energy: -1.413 local terms energy: -552.585532 where: bonds (distance) C4'-P energy: -109.829 bonds (distance) P-C4' energy: -120.814 flat angles C4'-P-C4' energy: -120.956 flat angles P-C4'-P energy: -74.293 tors. eta vs tors. theta energy: -126.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1359.300667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.300667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.300667 (E_RNA) where: Base-Base interactions energy: -870.200 where: short stacking energy: -376.901 Base-Backbone interact. energy: -2.171 local terms energy: -486.929073 where: bonds (distance) C4'-P energy: -100.866 bonds (distance) P-C4' energy: -106.934 flat angles C4'-P-C4' energy: -115.525 flat angles P-C4'-P energy: -77.930 tors. eta vs tors. theta energy: -85.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1108.381915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.381915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.381915 (E_RNA) where: Base-Base interactions energy: -674.653 where: short stacking energy: -303.236 Base-Backbone interact. energy: -0.704 local terms energy: -433.024540 where: bonds (distance) C4'-P energy: -107.476 bonds (distance) P-C4' energy: -102.727 flat angles C4'-P-C4' energy: -94.900 flat angles P-C4'-P energy: -60.015 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: 7, replica: 1 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1013.338978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.338978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.338978 (E_RNA) where: Base-Base interactions energy: -578.857 where: short stacking energy: -296.954 Base-Backbone interact. energy: -2.423 local terms energy: -432.059512 where: bonds (distance) C4'-P energy: -98.475 bonds (distance) P-C4' energy: -103.848 flat angles C4'-P-C4' energy: -111.455 flat angles P-C4'-P energy: -69.868 tors. eta vs tors. theta energy: -48.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -691.284344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.284344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.284344 (E_RNA) where: Base-Base interactions energy: -338.904 where: short stacking energy: -186.978 Base-Backbone interact. energy: 6.090 local terms energy: -358.471027 where: bonds (distance) C4'-P energy: -101.000 bonds (distance) P-C4' energy: -105.527 flat angles C4'-P-C4' energy: -90.008 flat angles P-C4'-P energy: -68.817 tors. eta vs tors. theta energy: 6.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -620.744093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.744093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.744093 (E_RNA) where: Base-Base interactions energy: -282.777 where: short stacking energy: -150.426 Base-Backbone interact. energy: 4.840 local terms energy: -342.807133 where: bonds (distance) C4'-P energy: -117.408 bonds (distance) P-C4' energy: -99.549 flat angles C4'-P-C4' energy: -92.757 flat angles P-C4'-P energy: -44.383 tors. eta vs tors. theta energy: 11.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -497.001030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.001030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.001030 (E_RNA) where: Base-Base interactions energy: -185.671 where: short stacking energy: -157.211 Base-Backbone interact. energy: 1.122 local terms energy: -312.452680 where: bonds (distance) C4'-P energy: -103.549 bonds (distance) P-C4' energy: -93.662 flat angles C4'-P-C4' energy: -81.377 flat angles P-C4'-P energy: -56.398 tors. eta vs tors. theta energy: 22.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1921.679597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.679597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.679597 (E_RNA) where: Base-Base interactions energy: -1295.648 where: short stacking energy: -560.723 Base-Backbone interact. energy: -3.242 local terms energy: -622.789624 where: bonds (distance) C4'-P energy: -122.529 bonds (distance) P-C4' energy: -125.797 flat angles C4'-P-C4' energy: -128.183 flat angles P-C4'-P energy: -90.081 tors. eta vs tors. theta energy: -156.199 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: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1844.000617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.000617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.000617 (E_RNA) where: Base-Base interactions energy: -1239.087 where: short stacking energy: -544.116 Base-Backbone interact. energy: -1.669 local terms energy: -603.244522 where: bonds (distance) C4'-P energy: -116.524 bonds (distance) P-C4' energy: -123.223 flat angles C4'-P-C4' energy: -129.035 flat angles P-C4'-P energy: -87.465 tors. eta vs tors. theta energy: -146.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1675.285064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.285064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.285064 (E_RNA) where: Base-Base interactions energy: -1101.328 where: short stacking energy: -465.273 Base-Backbone interact. energy: -4.136 local terms energy: -569.820409 where: bonds (distance) C4'-P energy: -119.120 bonds (distance) P-C4' energy: -125.087 flat angles C4'-P-C4' energy: -121.202 flat angles P-C4'-P energy: -84.834 tors. eta vs tors. theta energy: -119.577 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: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1576.462998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.462998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.462998 (E_RNA) where: Base-Base interactions energy: -1024.439 where: short stacking energy: -465.510 Base-Backbone interact. energy: -2.010 local terms energy: -550.014020 where: bonds (distance) C4'-P energy: -99.403 bonds (distance) P-C4' energy: -113.006 flat angles C4'-P-C4' energy: -136.012 flat angles P-C4'-P energy: -66.371 tors. eta vs tors. theta energy: -135.222 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: 52 Temperature: 1.100000 Total energy: -1344.150666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.150666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.150666 (E_RNA) where: Base-Base interactions energy: -840.451 where: short stacking energy: -389.033 Base-Backbone interact. energy: -4.960 local terms energy: -498.738722 where: bonds (distance) C4'-P energy: -107.152 bonds (distance) P-C4' energy: -100.167 flat angles C4'-P-C4' energy: -118.718 flat angles P-C4'-P energy: -75.444 tors. eta vs tors. theta energy: -97.258 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: 6, replica: 7 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1124.318293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.318293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.318293 (E_RNA) where: Base-Base interactions energy: -654.393 where: short stacking energy: -312.912 Base-Backbone interact. energy: -3.185 local terms energy: -466.739946 where: bonds (distance) C4'-P energy: -116.455 bonds (distance) P-C4' energy: -115.143 flat angles C4'-P-C4' energy: -101.353 flat angles P-C4'-P energy: -69.320 tors. eta vs tors. theta energy: -64.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -903.533170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.533170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.533170 (E_RNA) where: Base-Base interactions energy: -507.403 where: short stacking energy: -236.516 Base-Backbone interact. energy: -2.511 local terms energy: -393.618694 where: bonds (distance) C4'-P energy: -93.268 bonds (distance) P-C4' energy: -123.723 flat angles C4'-P-C4' energy: -95.335 flat angles P-C4'-P energy: -47.856 tors. eta vs tors. theta energy: -33.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -680.908586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.908586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.908586 (E_RNA) where: Base-Base interactions energy: -328.556 where: short stacking energy: -207.393 Base-Backbone interact. energy: -2.067 local terms energy: -350.285464 where: bonds (distance) C4'-P energy: -96.012 bonds (distance) P-C4' energy: -100.373 flat angles C4'-P-C4' energy: -108.070 flat angles P-C4'-P energy: -43.457 tors. eta vs tors. theta energy: -2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -654.770875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.770875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.770875 (E_RNA) where: Base-Base interactions energy: -297.868 where: short stacking energy: -177.672 Base-Backbone interact. energy: 0.250 local terms energy: -357.152727 where: bonds (distance) C4'-P energy: -105.882 bonds (distance) P-C4' energy: -97.275 flat angles C4'-P-C4' energy: -94.788 flat angles P-C4'-P energy: -64.053 tors. eta vs tors. theta energy: 4.846 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: 10, replica: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -513.928388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.928388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.928388 (E_RNA) where: Base-Base interactions energy: -211.708 where: short stacking energy: -137.774 Base-Backbone interact. energy: 2.182 local terms energy: -304.402547 where: bonds (distance) C4'-P energy: -91.791 bonds (distance) P-C4' energy: -100.587 flat angles C4'-P-C4' energy: -90.658 flat angles P-C4'-P energy: -47.054 tors. eta vs tors. theta energy: 25.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1953.641079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.641079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.641079 (E_RNA) where: Base-Base interactions energy: -1314.134 where: short stacking energy: -542.628 Base-Backbone interact. energy: -4.438 local terms energy: -635.069436 where: bonds (distance) C4'-P energy: -122.563 bonds (distance) P-C4' energy: -114.852 flat angles C4'-P-C4' energy: -138.517 flat angles P-C4'-P energy: -96.757 tors. eta vs tors. theta energy: -162.380 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: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1831.580337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.580337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.580337 (E_RNA) where: Base-Base interactions energy: -1194.002 where: short stacking energy: -539.904 Base-Backbone interact. energy: 1.475 local terms energy: -639.053496 where: bonds (distance) C4'-P energy: -124.836 bonds (distance) P-C4' energy: -119.241 flat angles C4'-P-C4' energy: -139.802 flat angles P-C4'-P energy: -96.620 tors. eta vs tors. theta energy: -158.555 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: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1660.733455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.733455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.733455 (E_RNA) where: Base-Base interactions energy: -1095.672 where: short stacking energy: -475.608 Base-Backbone interact. energy: -1.638 local terms energy: -563.423907 where: bonds (distance) C4'-P energy: -101.209 bonds (distance) P-C4' energy: -115.443 flat angles C4'-P-C4' energy: -132.265 flat angles P-C4'-P energy: -74.851 tors. eta vs tors. theta energy: -139.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1581.558616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.558616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.558616 (E_RNA) where: Base-Base interactions energy: -1003.655 where: short stacking energy: -466.088 Base-Backbone interact. energy: -0.723 local terms energy: -577.180701 where: bonds (distance) C4'-P energy: -116.344 bonds (distance) P-C4' energy: -121.849 flat angles C4'-P-C4' energy: -134.470 flat angles P-C4'-P energy: -80.529 tors. eta vs tors. theta energy: -123.988 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: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1333.586415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.586415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.586415 (E_RNA) where: Base-Base interactions energy: -804.390 where: short stacking energy: -396.897 Base-Backbone interact. energy: -4.080 local terms energy: -525.117130 where: bonds (distance) C4'-P energy: -110.736 bonds (distance) P-C4' energy: -121.762 flat angles C4'-P-C4' energy: -112.210 flat angles P-C4'-P energy: -74.572 tors. eta vs tors. theta energy: -105.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1189.855598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.855598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.855598 (E_RNA) where: Base-Base interactions energy: -747.954 where: short stacking energy: -341.429 Base-Backbone interact. energy: -0.705 local terms energy: -441.196391 where: bonds (distance) C4'-P energy: -101.133 bonds (distance) P-C4' energy: -116.105 flat angles C4'-P-C4' energy: -98.420 flat angles P-C4'-P energy: -63.619 tors. eta vs tors. theta energy: -61.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1017.010970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.010970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.010970 (E_RNA) where: Base-Base interactions energy: -603.693 where: short stacking energy: -270.177 Base-Backbone interact. energy: -1.429 local terms energy: -411.888609 where: bonds (distance) C4'-P energy: -102.211 bonds (distance) P-C4' energy: -89.210 flat angles C4'-P-C4' energy: -108.135 flat angles P-C4'-P energy: -67.304 tors. eta vs tors. theta energy: -45.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -725.959594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.959594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.959594 (E_RNA) where: Base-Base interactions energy: -356.384 where: short stacking energy: -193.136 Base-Backbone interact. energy: 1.177 local terms energy: -370.752269 where: bonds (distance) C4'-P energy: -109.793 bonds (distance) P-C4' energy: -102.328 flat angles C4'-P-C4' energy: -97.213 flat angles P-C4'-P energy: -49.649 tors. eta vs tors. theta energy: -11.769 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: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -606.362074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.362074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.362074 (E_RNA) where: Base-Base interactions energy: -271.123 where: short stacking energy: -176.437 Base-Backbone interact. energy: -2.979 local terms energy: -332.259871 where: bonds (distance) C4'-P energy: -98.642 bonds (distance) P-C4' energy: -93.102 flat angles C4'-P-C4' energy: -89.820 flat angles P-C4'-P energy: -49.189 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -554.758084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.758084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.758084 (E_RNA) where: Base-Base interactions energy: -228.548 where: short stacking energy: -162.971 Base-Backbone interact. energy: 3.173 local terms energy: -329.382865 where: bonds (distance) C4'-P energy: -86.359 bonds (distance) P-C4' energy: -97.606 flat angles C4'-P-C4' energy: -97.883 flat angles P-C4'-P energy: -53.047 tors. eta vs tors. theta energy: 5.513 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: 10 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1981.961300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.961300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.961300 (E_RNA) where: Base-Base interactions energy: -1348.005 where: short stacking energy: -555.714 Base-Backbone interact. energy: -3.309 local terms energy: -630.647275 where: bonds (distance) C4'-P energy: -120.425 bonds (distance) P-C4' energy: -123.560 flat angles C4'-P-C4' energy: -130.408 flat angles P-C4'-P energy: -86.386 tors. eta vs tors. theta energy: -169.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1830.493045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.493045 (E_RNA) where: Base-Base interactions energy: -1223.276 where: short stacking energy: -554.280 Base-Backbone interact. energy: 0.567 local terms energy: -607.783401 where: bonds (distance) C4'-P energy: -121.072 bonds (distance) P-C4' energy: -114.499 flat angles C4'-P-C4' energy: -135.404 flat angles P-C4'-P energy: -83.820 tors. eta vs tors. theta energy: -152.989 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: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1639.144316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.144316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.144316 (E_RNA) where: Base-Base interactions energy: -1038.409 where: short stacking energy: -483.010 Base-Backbone interact. energy: 0.040 local terms energy: -600.775624 where: bonds (distance) C4'-P energy: -121.189 bonds (distance) P-C4' energy: -124.311 flat angles C4'-P-C4' energy: -119.545 flat angles P-C4'-P energy: -94.694 tors. eta vs tors. theta energy: -141.036 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: 4 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1539.619869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.619869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.619869 (E_RNA) where: Base-Base interactions energy: -1015.571 where: short stacking energy: -429.628 Base-Backbone interact. energy: 0.657 local terms energy: -524.705392 where: bonds (distance) C4'-P energy: -102.998 bonds (distance) P-C4' energy: -118.377 flat angles C4'-P-C4' energy: -121.338 flat angles P-C4'-P energy: -70.688 tors. eta vs tors. theta energy: -111.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1312.388997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.388997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.388997 (E_RNA) where: Base-Base interactions energy: -841.570 where: short stacking energy: -380.470 Base-Backbone interact. energy: -2.512 local terms energy: -468.306632 where: bonds (distance) C4'-P energy: -90.075 bonds (distance) P-C4' energy: -113.606 flat angles C4'-P-C4' energy: -117.075 flat angles P-C4'-P energy: -65.054 tors. eta vs tors. theta energy: -82.497 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: 6, replica: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1292.870537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.870537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.870537 (E_RNA) where: Base-Base interactions energy: -799.112 where: short stacking energy: -361.168 Base-Backbone interact. energy: -0.079 local terms energy: -493.679797 where: bonds (distance) C4'-P energy: -110.049 bonds (distance) P-C4' energy: -124.281 flat angles C4'-P-C4' energy: -106.192 flat angles P-C4'-P energy: -74.927 tors. eta vs tors. theta energy: -78.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1020.609164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.609164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.609164 (E_RNA) where: Base-Base interactions energy: -614.755 where: short stacking energy: -282.243 Base-Backbone interact. energy: -3.826 local terms energy: -402.028311 where: bonds (distance) C4'-P energy: -106.087 bonds (distance) P-C4' energy: -89.553 flat angles C4'-P-C4' energy: -106.100 flat angles P-C4'-P energy: -55.696 tors. eta vs tors. theta energy: -44.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -702.386350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.386350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.386350 (E_RNA) where: Base-Base interactions energy: -339.136 where: short stacking energy: -208.282 Base-Backbone interact. energy: 0.574 local terms energy: -363.824519 where: bonds (distance) C4'-P energy: -113.178 bonds (distance) P-C4' energy: -97.429 flat angles C4'-P-C4' energy: -78.587 flat angles P-C4'-P energy: -61.590 tors. eta vs tors. theta energy: -13.041 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: 9, replica: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -498.073676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.073676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.073676 (E_RNA) where: Base-Base interactions energy: -155.826 where: short stacking energy: -126.643 Base-Backbone interact. energy: 3.472 local terms energy: -345.719957 where: bonds (distance) C4'-P energy: -101.670 bonds (distance) P-C4' energy: -118.426 flat angles C4'-P-C4' energy: -105.004 flat angles P-C4'-P energy: -40.172 tors. eta vs tors. theta energy: 19.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -562.186173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.186173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.186173 (E_RNA) where: Base-Base interactions energy: -227.570 where: short stacking energy: -135.505 Base-Backbone interact. energy: -2.722 local terms energy: -331.894070 where: bonds (distance) C4'-P energy: -90.112 bonds (distance) P-C4' energy: -114.573 flat angles C4'-P-C4' energy: -93.511 flat angles P-C4'-P energy: -50.296 tors. eta vs tors. theta energy: 16.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1936.107638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.107638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.107638 (E_RNA) where: Base-Base interactions energy: -1290.688 where: short stacking energy: -568.626 Base-Backbone interact. energy: -3.436 local terms energy: -641.984375 where: bonds (distance) C4'-P energy: -114.882 bonds (distance) P-C4' energy: -121.636 flat angles C4'-P-C4' energy: -141.422 flat angles P-C4'-P energy: -95.049 tors. eta vs tors. theta energy: -168.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1859.301607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.301607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.301607 (E_RNA) where: Base-Base interactions energy: -1246.509 where: short stacking energy: -547.347 Base-Backbone interact. energy: -1.513 local terms energy: -611.279974 where: bonds (distance) C4'-P energy: -116.220 bonds (distance) P-C4' energy: -120.360 flat angles C4'-P-C4' energy: -130.529 flat angles P-C4'-P energy: -81.301 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: 3, replica: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1650.553775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.553775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.553775 (E_RNA) where: Base-Base interactions energy: -1053.337 where: short stacking energy: -500.471 Base-Backbone interact. energy: -0.270 local terms energy: -596.946885 where: bonds (distance) C4'-P energy: -120.968 bonds (distance) P-C4' energy: -121.987 flat angles C4'-P-C4' energy: -125.216 flat angles P-C4'-P energy: -93.589 tors. eta vs tors. theta energy: -135.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1577.590616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.590616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.590616 (E_RNA) where: Base-Base interactions energy: -1041.484 where: short stacking energy: -449.716 Base-Backbone interact. energy: -3.539 local terms energy: -532.566940 where: bonds (distance) C4'-P energy: -112.205 bonds (distance) P-C4' energy: -99.465 flat angles C4'-P-C4' energy: -109.779 flat angles P-C4'-P energy: -97.538 tors. eta vs tors. theta energy: -113.580 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: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1335.110660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.110660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.110660 (E_RNA) where: Base-Base interactions energy: -810.434 where: short stacking energy: -387.627 Base-Backbone interact. energy: -1.923 local terms energy: -522.754147 where: bonds (distance) C4'-P energy: -100.142 bonds (distance) P-C4' energy: -123.752 flat angles C4'-P-C4' energy: -123.824 flat angles P-C4'-P energy: -76.917 tors. eta vs tors. theta energy: -98.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1279.182930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.182930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.182930 (E_RNA) where: Base-Base interactions energy: -823.767 where: short stacking energy: -368.255 Base-Backbone interact. energy: -1.008 local terms energy: -454.408245 where: bonds (distance) C4'-P energy: -114.154 bonds (distance) P-C4' energy: -87.450 flat angles C4'-P-C4' energy: -108.874 flat angles P-C4'-P energy: -61.671 tors. eta vs tors. theta energy: -82.260 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: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1076.476821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.476821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.476821 (E_RNA) where: Base-Base interactions energy: -647.614 where: short stacking energy: -316.290 Base-Backbone interact. energy: 8.144 local terms energy: -437.007225 where: bonds (distance) C4'-P energy: -97.453 bonds (distance) P-C4' energy: -115.646 flat angles C4'-P-C4' energy: -108.991 flat angles P-C4'-P energy: -56.229 tors. eta vs tors. theta energy: -58.688 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: 8, replica: 8 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -791.748323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.748323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.748323 (E_RNA) where: Base-Base interactions energy: -402.082 where: short stacking energy: -208.271 Base-Backbone interact. energy: -1.751 local terms energy: -387.915826 where: bonds (distance) C4'-P energy: -104.187 bonds (distance) P-C4' energy: -115.100 flat angles C4'-P-C4' energy: -103.851 flat angles P-C4'-P energy: -59.345 tors. eta vs tors. theta energy: -5.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -598.745829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.745829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.745829 (E_RNA) where: Base-Base interactions energy: -252.712 where: short stacking energy: -189.425 Base-Backbone interact. energy: -1.691 local terms energy: -344.342110 where: bonds (distance) C4'-P energy: -101.511 bonds (distance) P-C4' energy: -92.811 flat angles C4'-P-C4' energy: -101.482 flat angles P-C4'-P energy: -35.920 tors. eta vs tors. theta energy: -12.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -513.816206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.816206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.816206 (E_RNA) where: Base-Base interactions energy: -222.093 where: short stacking energy: -126.950 Base-Backbone interact. energy: -0.515 local terms energy: -291.208465 where: bonds (distance) C4'-P energy: -83.111 bonds (distance) P-C4' energy: -102.655 flat angles C4'-P-C4' energy: -83.672 flat angles P-C4'-P energy: -57.801 tors. eta vs tors. theta energy: 36.030 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: 10 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1969.436090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.436090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.436090 (E_RNA) where: Base-Base interactions energy: -1309.516 where: short stacking energy: -557.414 Base-Backbone interact. energy: -2.123 local terms energy: -657.797148 where: bonds (distance) C4'-P energy: -122.314 bonds (distance) P-C4' energy: -130.351 flat angles C4'-P-C4' energy: -146.177 flat angles P-C4'-P energy: -92.586 tors. eta vs tors. theta energy: -166.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1866.388862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.388862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.388862 (E_RNA) where: Base-Base interactions energy: -1232.183 where: short stacking energy: -570.610 Base-Backbone interact. energy: 0.915 local terms energy: -635.120104 where: bonds (distance) C4'-P energy: -103.589 bonds (distance) P-C4' energy: -125.871 flat angles C4'-P-C4' energy: -142.608 flat angles P-C4'-P energy: -89.779 tors. eta vs tors. theta energy: -173.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1644.055481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.055481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.055481 (E_RNA) where: Base-Base interactions energy: -1046.105 where: short stacking energy: -511.045 Base-Backbone interact. energy: -1.504 local terms energy: -596.446451 where: bonds (distance) C4'-P energy: -112.400 bonds (distance) P-C4' energy: -116.309 flat angles C4'-P-C4' energy: -134.102 flat angles P-C4'-P energy: -90.929 tors. eta vs tors. theta energy: -142.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1518.814316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.814316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.814316 (E_RNA) where: Base-Base interactions energy: -973.990 where: short stacking energy: -450.748 Base-Backbone interact. energy: 2.343 local terms energy: -547.167873 where: bonds (distance) C4'-P energy: -99.392 bonds (distance) P-C4' energy: -106.236 flat angles C4'-P-C4' energy: -122.336 flat angles P-C4'-P energy: -86.793 tors. eta vs tors. theta energy: -132.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1298.344648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.344648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.344648 (E_RNA) where: Base-Base interactions energy: -813.327 where: short stacking energy: -373.389 Base-Backbone interact. energy: -0.932 local terms energy: -484.085667 where: bonds (distance) C4'-P energy: -108.221 bonds (distance) P-C4' energy: -107.682 flat angles C4'-P-C4' energy: -112.811 flat angles P-C4'-P energy: -76.716 tors. eta vs tors. theta energy: -78.657 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: 6, replica: 7 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1236.630902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.630902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.630902 (E_RNA) where: Base-Base interactions energy: -770.957 where: short stacking energy: -349.700 Base-Backbone interact. energy: -1.204 local terms energy: -464.470293 where: bonds (distance) C4'-P energy: -76.614 bonds (distance) P-C4' energy: -115.338 flat angles C4'-P-C4' energy: -113.202 flat angles P-C4'-P energy: -75.698 tors. eta vs tors. theta energy: -83.618 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: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1149.309085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.309085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.309085 (E_RNA) where: Base-Base interactions energy: -686.106 where: short stacking energy: -317.130 Base-Backbone interact. energy: 5.290 local terms energy: -468.492891 where: bonds (distance) C4'-P energy: -109.116 bonds (distance) P-C4' energy: -115.218 flat angles C4'-P-C4' energy: -113.320 flat angles P-C4'-P energy: -73.854 tors. eta vs tors. theta energy: -56.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -854.116985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.116985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.116985 (E_RNA) where: Base-Base interactions energy: -479.741 where: short stacking energy: -211.112 Base-Backbone interact. energy: 0.541 local terms energy: -374.917027 where: bonds (distance) C4'-P energy: -103.521 bonds (distance) P-C4' energy: -91.744 flat angles C4'-P-C4' energy: -102.626 flat angles P-C4'-P energy: -63.386 tors. eta vs tors. theta energy: -13.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -557.447058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.447058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.447058 (E_RNA) where: Base-Base interactions energy: -216.930 where: short stacking energy: -126.101 Base-Backbone interact. energy: -3.156 local terms energy: -337.361105 where: bonds (distance) C4'-P energy: -108.645 bonds (distance) P-C4' energy: -115.008 flat angles C4'-P-C4' energy: -89.477 flat angles P-C4'-P energy: -57.038 tors. eta vs tors. theta energy: 32.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -564.432332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.432332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.432332 (E_RNA) where: Base-Base interactions energy: -245.626 where: short stacking energy: -158.797 Base-Backbone interact. energy: -2.029 local terms energy: -316.777026 where: bonds (distance) C4'-P energy: -111.520 bonds (distance) P-C4' energy: -95.612 flat angles C4'-P-C4' energy: -83.453 flat angles P-C4'-P energy: -43.785 tors. eta vs tors. theta energy: 17.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1980.570711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.570711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.570711 (E_RNA) where: Base-Base interactions energy: -1324.113 where: short stacking energy: -571.904 Base-Backbone interact. energy: 1.997 local terms energy: -658.454459 where: bonds (distance) C4'-P energy: -126.998 bonds (distance) P-C4' energy: -126.714 flat angles C4'-P-C4' energy: -136.210 flat angles P-C4'-P energy: -103.840 tors. eta vs tors. theta energy: -164.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1919.589026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.589026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.589026 (E_RNA) where: Base-Base interactions energy: -1278.637 where: short stacking energy: -563.483 Base-Backbone interact. energy: -2.767 local terms energy: -638.185604 where: bonds (distance) C4'-P energy: -134.330 bonds (distance) P-C4' energy: -118.807 flat angles C4'-P-C4' energy: -139.439 flat angles P-C4'-P energy: -82.189 tors. eta vs tors. theta energy: -163.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1638.283314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.283314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.283314 (E_RNA) where: Base-Base interactions energy: -1044.670 where: short stacking energy: -490.008 Base-Backbone interact. energy: -0.557 local terms energy: -593.056628 where: bonds (distance) C4'-P energy: -123.755 bonds (distance) P-C4' energy: -109.327 flat angles C4'-P-C4' energy: -142.451 flat angles P-C4'-P energy: -78.691 tors. eta vs tors. theta energy: -138.833 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: 4 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1491.935799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.935799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.935799 (E_RNA) where: Base-Base interactions energy: -958.372 where: short stacking energy: -441.587 Base-Backbone interact. energy: -1.469 local terms energy: -532.094900 where: bonds (distance) C4'-P energy: -102.062 bonds (distance) P-C4' energy: -122.451 flat angles C4'-P-C4' energy: -120.696 flat angles P-C4'-P energy: -72.346 tors. eta vs tors. theta energy: -114.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1242.563065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.563065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.563065 (E_RNA) where: Base-Base interactions energy: -747.236 where: short stacking energy: -340.544 Base-Backbone interact. energy: -2.028 local terms energy: -493.299352 where: bonds (distance) C4'-P energy: -109.729 bonds (distance) P-C4' energy: -104.919 flat angles C4'-P-C4' energy: -116.583 flat angles P-C4'-P energy: -74.712 tors. eta vs tors. theta energy: -87.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1227.199745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.199745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.199745 (E_RNA) where: Base-Base interactions energy: -737.195 where: short stacking energy: -359.835 Base-Backbone interact. energy: -2.998 local terms energy: -487.006236 where: bonds (distance) C4'-P energy: -112.964 bonds (distance) P-C4' energy: -106.950 flat angles C4'-P-C4' energy: -114.234 flat angles P-C4'-P energy: -61.912 tors. eta vs tors. theta energy: -90.947 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: 7 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1178.934136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.934136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.934136 (E_RNA) where: Base-Base interactions energy: -730.895 where: short stacking energy: -325.105 Base-Backbone interact. energy: -1.072 local terms energy: -446.966942 where: bonds (distance) C4'-P energy: -101.337 bonds (distance) P-C4' energy: -112.999 flat angles C4'-P-C4' energy: -91.686 flat angles P-C4'-P energy: -60.320 tors. eta vs tors. theta energy: -80.624 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: 8 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -854.449417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.449417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.449417 (E_RNA) where: Base-Base interactions energy: -484.751 where: short stacking energy: -232.498 Base-Backbone interact. energy: -4.164 local terms energy: -365.535299 where: bonds (distance) C4'-P energy: -112.466 bonds (distance) P-C4' energy: -97.836 flat angles C4'-P-C4' energy: -103.890 flat angles P-C4'-P energy: -35.953 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: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -588.931754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.931754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.931754 (E_RNA) where: Base-Base interactions energy: -237.089 where: short stacking energy: -141.864 Base-Backbone interact. energy: -0.827 local terms energy: -351.016279 where: bonds (distance) C4'-P energy: -117.555 bonds (distance) P-C4' energy: -102.976 flat angles C4'-P-C4' energy: -87.959 flat angles P-C4'-P energy: -60.144 tors. eta vs tors. theta energy: 17.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -578.241336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.241336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.241336 (E_RNA) where: Base-Base interactions energy: -277.853 where: short stacking energy: -176.828 Base-Backbone interact. energy: -3.317 local terms energy: -297.070934 where: bonds (distance) C4'-P energy: -83.503 bonds (distance) P-C4' energy: -96.068 flat angles C4'-P-C4' energy: -88.342 flat angles P-C4'-P energy: -42.439 tors. eta vs tors. theta energy: 13.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1974.213960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.213960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.213960 (E_RNA) where: Base-Base interactions energy: -1345.943 where: short stacking energy: -544.464 Base-Backbone interact. energy: -1.528 local terms energy: -626.743548 where: bonds (distance) C4'-P energy: -110.638 bonds (distance) P-C4' energy: -125.557 flat angles C4'-P-C4' energy: -139.080 flat angles P-C4'-P energy: -86.553 tors. eta vs tors. theta energy: -164.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1871.041341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.041341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.041341 (E_RNA) where: Base-Base interactions energy: -1270.527 where: short stacking energy: -548.262 Base-Backbone interact. energy: -0.160 local terms energy: -600.354494 where: bonds (distance) C4'-P energy: -110.760 bonds (distance) P-C4' energy: -118.762 flat angles C4'-P-C4' energy: -129.845 flat angles P-C4'-P energy: -74.001 tors. eta vs tors. theta energy: -166.987 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: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1604.921879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.921879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.921879 (E_RNA) where: Base-Base interactions energy: -1029.610 where: short stacking energy: -492.717 Base-Backbone interact. energy: -0.761 local terms energy: -574.550864 where: bonds (distance) C4'-P energy: -107.154 bonds (distance) P-C4' energy: -123.924 flat angles C4'-P-C4' energy: -123.610 flat angles P-C4'-P energy: -77.406 tors. eta vs tors. theta energy: -142.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1526.618489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.618489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.618489 (E_RNA) where: Base-Base interactions energy: -1000.839 where: short stacking energy: -434.200 Base-Backbone interact. energy: 0.766 local terms energy: -526.545200 where: bonds (distance) C4'-P energy: -119.025 bonds (distance) P-C4' energy: -117.670 flat angles C4'-P-C4' energy: -98.024 flat angles P-C4'-P energy: -77.163 tors. eta vs tors. theta energy: -114.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1291.024765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.024765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.024765 (E_RNA) where: Base-Base interactions energy: -820.747 where: short stacking energy: -375.489 Base-Backbone interact. energy: -4.090 local terms energy: -466.188163 where: bonds (distance) C4'-P energy: -99.525 bonds (distance) P-C4' energy: -120.141 flat angles C4'-P-C4' energy: -103.651 flat angles P-C4'-P energy: -59.056 tors. eta vs tors. theta energy: -83.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1235.614761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.614761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.614761 (E_RNA) where: Base-Base interactions energy: -777.380 where: short stacking energy: -341.196 Base-Backbone interact. energy: -3.937 local terms energy: -454.297997 where: bonds (distance) C4'-P energy: -103.656 bonds (distance) P-C4' energy: -104.918 flat angles C4'-P-C4' energy: -102.882 flat angles P-C4'-P energy: -67.488 tors. eta vs tors. theta energy: -75.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1169.736570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.736570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.736570 (E_RNA) where: Base-Base interactions energy: -692.971 where: short stacking energy: -325.170 Base-Backbone interact. energy: -0.533 local terms energy: -476.233124 where: bonds (distance) C4'-P energy: -109.867 bonds (distance) P-C4' energy: -114.285 flat angles C4'-P-C4' energy: -107.449 flat angles P-C4'-P energy: -72.904 tors. eta vs tors. theta energy: -71.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -849.367956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.367956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.367956 (E_RNA) where: Base-Base interactions energy: -470.400 where: short stacking energy: -246.530 Base-Backbone interact. energy: 1.415 local terms energy: -380.383798 where: bonds (distance) C4'-P energy: -124.958 bonds (distance) P-C4' energy: -101.564 flat angles C4'-P-C4' energy: -88.602 flat angles P-C4'-P energy: -38.283 tors. eta vs tors. theta energy: -26.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -559.583144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.583144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.583144 (E_RNA) where: Base-Base interactions energy: -231.285 where: short stacking energy: -126.404 Base-Backbone interact. energy: 4.556 local terms energy: -332.854917 where: bonds (distance) C4'-P energy: -100.415 bonds (distance) P-C4' energy: -112.756 flat angles C4'-P-C4' energy: -86.332 flat angles P-C4'-P energy: -44.304 tors. eta vs tors. theta energy: 10.952 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: 10, replica: 6 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -511.204670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.204670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.204670 (E_RNA) where: Base-Base interactions energy: -190.862 where: short stacking energy: -117.116 Base-Backbone interact. energy: -1.433 local terms energy: -318.909310 where: bonds (distance) C4'-P energy: -116.812 bonds (distance) P-C4' energy: -86.931 flat angles C4'-P-C4' energy: -97.089 flat angles P-C4'-P energy: -51.961 tors. eta vs tors. theta energy: 33.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1977.447432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.447432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.447432 (E_RNA) where: Base-Base interactions energy: -1345.236 where: short stacking energy: -542.444 Base-Backbone interact. energy: -0.460 local terms energy: -631.751757 where: bonds (distance) C4'-P energy: -120.766 bonds (distance) P-C4' energy: -117.574 flat angles C4'-P-C4' energy: -142.147 flat angles P-C4'-P energy: -86.679 tors. eta vs tors. theta energy: -164.585 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: 2, replica: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1853.603709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.603709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.603709 (E_RNA) where: Base-Base interactions energy: -1245.566 where: short stacking energy: -556.914 Base-Backbone interact. energy: 1.503 local terms energy: -609.540969 where: bonds (distance) C4'-P energy: -119.483 bonds (distance) P-C4' energy: -122.217 flat angles C4'-P-C4' energy: -127.745 flat angles P-C4'-P energy: -78.410 tors. eta vs tors. theta energy: -161.686 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: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1618.906207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.906207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.906207 (E_RNA) where: Base-Base interactions energy: -1053.677 where: short stacking energy: -478.614 Base-Backbone interact. energy: -2.451 local terms energy: -562.779143 where: bonds (distance) C4'-P energy: -125.980 bonds (distance) P-C4' energy: -114.605 flat angles C4'-P-C4' energy: -127.967 flat angles P-C4'-P energy: -71.511 tors. eta vs tors. theta energy: -122.716 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: 4 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1533.916327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.916327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.916327 (E_RNA) where: Base-Base interactions energy: -983.282 where: short stacking energy: -433.287 Base-Backbone interact. energy: -0.337 local terms energy: -550.297469 where: bonds (distance) C4'-P energy: -106.872 bonds (distance) P-C4' energy: -114.727 flat angles C4'-P-C4' energy: -126.684 flat angles P-C4'-P energy: -83.780 tors. eta vs tors. theta energy: -118.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1241.154873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.154873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.154873 (E_RNA) where: Base-Base interactions energy: -741.000 where: short stacking energy: -374.957 Base-Backbone interact. energy: -1.612 local terms energy: -498.543106 where: bonds (distance) C4'-P energy: -115.180 bonds (distance) P-C4' energy: -110.215 flat angles C4'-P-C4' energy: -110.945 flat angles P-C4'-P energy: -79.160 tors. eta vs tors. theta energy: -83.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1199.997651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.997651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.997651 (E_RNA) where: Base-Base interactions energy: -727.054 where: short stacking energy: -367.086 Base-Backbone interact. energy: -3.982 local terms energy: -468.961048 where: bonds (distance) C4'-P energy: -103.121 bonds (distance) P-C4' energy: -96.750 flat angles C4'-P-C4' energy: -120.003 flat angles P-C4'-P energy: -64.594 tors. eta vs tors. theta energy: -84.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1129.756661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.756661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.756661 (E_RNA) where: Base-Base interactions energy: -673.396 where: short stacking energy: -346.162 Base-Backbone interact. energy: 4.167 local terms energy: -460.527993 where: bonds (distance) C4'-P energy: -107.355 bonds (distance) P-C4' energy: -106.500 flat angles C4'-P-C4' energy: -109.387 flat angles P-C4'-P energy: -75.068 tors. eta vs tors. theta energy: -62.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -809.844485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.844485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.844485 (E_RNA) where: Base-Base interactions energy: -463.750 where: short stacking energy: -220.923 Base-Backbone interact. energy: -2.443 local terms energy: -343.651339 where: bonds (distance) C4'-P energy: -94.081 bonds (distance) P-C4' energy: -105.887 flat angles C4'-P-C4' energy: -94.822 flat angles P-C4'-P energy: -56.775 tors. eta vs tors. theta energy: 7.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -621.889846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.889846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.889846 (E_RNA) where: Base-Base interactions energy: -296.089 where: short stacking energy: -163.232 Base-Backbone interact. energy: -1.495 local terms energy: -324.305929 where: bonds (distance) C4'-P energy: -92.900 bonds (distance) P-C4' energy: -104.487 flat angles C4'-P-C4' energy: -95.511 flat angles P-C4'-P energy: -48.898 tors. eta vs tors. theta energy: 17.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -477.652661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.652661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.652661 (E_RNA) where: Base-Base interactions energy: -157.248 where: short stacking energy: -138.900 Base-Backbone interact. energy: 0.655 local terms energy: -321.058920 where: bonds (distance) C4'-P energy: -88.990 bonds (distance) P-C4' energy: -112.927 flat angles C4'-P-C4' energy: -82.647 flat angles P-C4'-P energy: -50.958 tors. eta vs tors. theta energy: 14.463 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: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1961.046904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.046904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.046904 (E_RNA) where: Base-Base interactions energy: -1319.959 where: short stacking energy: -534.009 Base-Backbone interact. energy: -0.155 local terms energy: -640.932772 where: bonds (distance) C4'-P energy: -129.636 bonds (distance) P-C4' energy: -134.889 flat angles C4'-P-C4' energy: -130.694 flat angles P-C4'-P energy: -86.696 tors. eta vs tors. theta energy: -159.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1854.787808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.787808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.787808 (E_RNA) where: Base-Base interactions energy: -1212.021 where: short stacking energy: -546.108 Base-Backbone interact. energy: -1.753 local terms energy: -641.013845 where: bonds (distance) C4'-P energy: -109.944 bonds (distance) P-C4' energy: -126.254 flat angles C4'-P-C4' energy: -141.279 flat angles P-C4'-P energy: -96.631 tors. eta vs tors. theta energy: -166.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1646.714155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.714155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.714155 (E_RNA) where: Base-Base interactions energy: -1091.836 where: short stacking energy: -473.949 Base-Backbone interact. energy: -1.701 local terms energy: -553.177113 where: bonds (distance) C4'-P energy: -112.162 bonds (distance) P-C4' energy: -115.802 flat angles C4'-P-C4' energy: -121.993 flat angles P-C4'-P energy: -75.883 tors. eta vs tors. theta energy: -127.338 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: 4 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1517.189277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.189277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.189277 (E_RNA) where: Base-Base interactions energy: -974.281 where: short stacking energy: -447.239 Base-Backbone interact. energy: 1.218 local terms energy: -544.126308 where: bonds (distance) C4'-P energy: -110.361 bonds (distance) P-C4' energy: -115.147 flat angles C4'-P-C4' energy: -120.293 flat angles P-C4'-P energy: -72.094 tors. eta vs tors. theta energy: -126.230 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: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1320.539601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.539601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.539601 (E_RNA) where: Base-Base interactions energy: -830.604 where: short stacking energy: -359.578 Base-Backbone interact. energy: 2.892 local terms energy: -492.828179 where: bonds (distance) C4'-P energy: -104.481 bonds (distance) P-C4' energy: -123.565 flat angles C4'-P-C4' energy: -120.157 flat angles P-C4'-P energy: -70.977 tors. eta vs tors. theta energy: -73.648 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: 1 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1229.968152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.968152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.968152 (E_RNA) where: Base-Base interactions energy: -752.643 where: short stacking energy: -370.092 Base-Backbone interact. energy: -1.930 local terms energy: -475.394554 where: bonds (distance) C4'-P energy: -100.587 bonds (distance) P-C4' energy: -112.287 flat angles C4'-P-C4' energy: -112.237 flat angles P-C4'-P energy: -63.907 tors. eta vs tors. theta energy: -86.377 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: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1106.345350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.345350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.345350 (E_RNA) where: Base-Base interactions energy: -691.512 where: short stacking energy: -308.221 Base-Backbone interact. energy: -1.810 local terms energy: -413.022706 where: bonds (distance) C4'-P energy: -94.665 bonds (distance) P-C4' energy: -104.333 flat angles C4'-P-C4' energy: -103.002 flat angles P-C4'-P energy: -55.444 tors. eta vs tors. theta energy: -55.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -880.371817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.371817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.371817 (E_RNA) where: Base-Base interactions energy: -465.300 where: short stacking energy: -240.895 Base-Backbone interact. energy: 1.209 local terms energy: -416.280670 where: bonds (distance) C4'-P energy: -110.189 bonds (distance) P-C4' energy: -116.574 flat angles C4'-P-C4' energy: -96.134 flat angles P-C4'-P energy: -63.722 tors. eta vs tors. theta energy: -29.662 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: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -669.136050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.136050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.136050 (E_RNA) where: Base-Base interactions energy: -326.336 where: short stacking energy: -190.208 Base-Backbone interact. energy: -1.026 local terms energy: -341.773634 where: bonds (distance) C4'-P energy: -108.449 bonds (distance) P-C4' energy: -104.821 flat angles C4'-P-C4' energy: -74.291 flat angles P-C4'-P energy: -50.493 tors. eta vs tors. theta energy: -3.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -465.898674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.898674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.898674 (E_RNA) where: Base-Base interactions energy: -178.712 where: short stacking energy: -129.390 Base-Backbone interact. energy: 3.997 local terms energy: -291.183581 where: bonds (distance) C4'-P energy: -88.077 bonds (distance) P-C4' energy: -107.541 flat angles C4'-P-C4' energy: -75.673 flat angles P-C4'-P energy: -46.417 tors. eta vs tors. theta energy: 26.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1972.511373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.511373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.511373 (E_RNA) where: Base-Base interactions energy: -1347.423 where: short stacking energy: -547.078 Base-Backbone interact. energy: -3.665 local terms energy: -621.422879 where: bonds (distance) C4'-P energy: -120.620 bonds (distance) P-C4' energy: -118.647 flat angles C4'-P-C4' energy: -138.784 flat angles P-C4'-P energy: -88.940 tors. eta vs tors. theta energy: -154.432 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: 61 Temperature: 0.950000 Total energy: -1851.448375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.448375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.448375 (E_RNA) where: Base-Base interactions energy: -1248.198 where: short stacking energy: -528.830 Base-Backbone interact. energy: -0.760 local terms energy: -602.490944 where: bonds (distance) C4'-P energy: -112.796 bonds (distance) P-C4' energy: -126.120 flat angles C4'-P-C4' energy: -118.489 flat angles P-C4'-P energy: -90.294 tors. eta vs tors. theta energy: -154.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1584.024643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.024643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.024643 (E_RNA) where: Base-Base interactions energy: -1020.565 where: short stacking energy: -478.079 Base-Backbone interact. energy: -2.840 local terms energy: -560.619758 where: bonds (distance) C4'-P energy: -110.553 bonds (distance) P-C4' energy: -119.603 flat angles C4'-P-C4' energy: -121.686 flat angles P-C4'-P energy: -76.801 tors. eta vs tors. theta energy: -131.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1544.616916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.616916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.616916 (E_RNA) where: Base-Base interactions energy: -1009.524 where: short stacking energy: -439.599 Base-Backbone interact. energy: -0.661 local terms energy: -534.431668 where: bonds (distance) C4'-P energy: -104.488 bonds (distance) P-C4' energy: -113.389 flat angles C4'-P-C4' energy: -121.435 flat angles P-C4'-P energy: -76.221 tors. eta vs tors. theta energy: -118.899 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: 61 Temperature: 1.100000 Total energy: -1357.381075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.381075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.381075 (E_RNA) where: Base-Base interactions energy: -828.520 where: short stacking energy: -406.447 Base-Backbone interact. energy: -2.933 local terms energy: -525.928227 where: bonds (distance) C4'-P energy: -109.047 bonds (distance) P-C4' energy: -113.563 flat angles C4'-P-C4' energy: -124.853 flat angles P-C4'-P energy: -78.527 tors. eta vs tors. theta energy: -99.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1216.070934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.070934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.070934 (E_RNA) where: Base-Base interactions energy: -752.207 where: short stacking energy: -355.070 Base-Backbone interact. energy: 11.728 local terms energy: -475.591922 where: bonds (distance) C4'-P energy: -108.374 bonds (distance) P-C4' energy: -109.252 flat angles C4'-P-C4' energy: -99.793 flat angles P-C4'-P energy: -76.743 tors. eta vs tors. theta energy: -81.430 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: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1193.980313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.980313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.980313 (E_RNA) where: Base-Base interactions energy: -731.862 where: short stacking energy: -338.657 Base-Backbone interact. energy: -4.223 local terms energy: -457.895819 where: bonds (distance) C4'-P energy: -115.122 bonds (distance) P-C4' energy: -107.944 flat angles C4'-P-C4' energy: -110.277 flat angles P-C4'-P energy: -59.595 tors. eta vs tors. theta energy: -64.958 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: 8 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -815.670854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.670854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.670854 (E_RNA) where: Base-Base interactions energy: -453.492 where: short stacking energy: -236.342 Base-Backbone interact. energy: -2.380 local terms energy: -359.798686 where: bonds (distance) C4'-P energy: -85.838 bonds (distance) P-C4' energy: -98.374 flat angles C4'-P-C4' energy: -95.406 flat angles P-C4'-P energy: -61.140 tors. eta vs tors. theta energy: -19.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -647.007398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.007398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.007398 (E_RNA) where: Base-Base interactions energy: -344.045 where: short stacking energy: -183.766 Base-Backbone interact. energy: 0.737 local terms energy: -303.699111 where: bonds (distance) C4'-P energy: -101.400 bonds (distance) P-C4' energy: -89.890 flat angles C4'-P-C4' energy: -78.509 flat angles P-C4'-P energy: -57.099 tors. eta vs tors. theta energy: 23.200 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: 6 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -478.005874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.005874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.005874 (E_RNA) where: Base-Base interactions energy: -175.595 where: short stacking energy: -134.549 Base-Backbone interact. energy: 0.500 local terms energy: -302.911409 where: bonds (distance) C4'-P energy: -97.636 bonds (distance) P-C4' energy: -123.670 flat angles C4'-P-C4' energy: -65.990 flat angles P-C4'-P energy: -38.573 tors. eta vs tors. theta energy: 22.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1950.857778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.857778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.857778 (E_RNA) where: Base-Base interactions energy: -1314.822 where: short stacking energy: -568.416 Base-Backbone interact. energy: -1.329 local terms energy: -634.706508 where: bonds (distance) C4'-P energy: -121.304 bonds (distance) P-C4' energy: -126.199 flat angles C4'-P-C4' energy: -137.418 flat angles P-C4'-P energy: -89.769 tors. eta vs tors. theta energy: -160.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1886.448271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.448271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.448271 (E_RNA) where: Base-Base interactions energy: -1258.064 where: short stacking energy: -554.070 Base-Backbone interact. energy: -0.977 local terms energy: -627.408160 where: bonds (distance) C4'-P energy: -107.218 bonds (distance) P-C4' energy: -126.157 flat angles C4'-P-C4' energy: -135.714 flat angles P-C4'-P energy: -91.188 tors. eta vs tors. theta energy: -167.131 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: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1646.295613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.295613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.295613 (E_RNA) where: Base-Base interactions energy: -1056.072 where: short stacking energy: -499.828 Base-Backbone interact. energy: 0.060 local terms energy: -590.283478 where: bonds (distance) C4'-P energy: -121.892 bonds (distance) P-C4' energy: -120.984 flat angles C4'-P-C4' energy: -124.487 flat angles P-C4'-P energy: -78.599 tors. eta vs tors. theta energy: -144.321 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: 4 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1516.229495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.229495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.229495 (E_RNA) where: Base-Base interactions energy: -985.981 where: short stacking energy: -449.098 Base-Backbone interact. energy: -1.938 local terms energy: -528.310414 where: bonds (distance) C4'-P energy: -108.521 bonds (distance) P-C4' energy: -108.227 flat angles C4'-P-C4' energy: -108.753 flat angles P-C4'-P energy: -76.316 tors. eta vs tors. theta energy: -126.494 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: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1376.715682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.715682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.715682 (E_RNA) where: Base-Base interactions energy: -845.786 where: short stacking energy: -396.136 Base-Backbone interact. energy: -3.672 local terms energy: -527.258106 where: bonds (distance) C4'-P energy: -108.005 bonds (distance) P-C4' energy: -116.831 flat angles C4'-P-C4' energy: -121.599 flat angles P-C4'-P energy: -89.139 tors. eta vs tors. theta energy: -91.685 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: 1 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1231.552903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.552903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.552903 (E_RNA) where: Base-Base interactions energy: -732.244 where: short stacking energy: -351.048 Base-Backbone interact. energy: -2.341 local terms energy: -496.967590 where: bonds (distance) C4'-P energy: -109.335 bonds (distance) P-C4' energy: -99.622 flat angles C4'-P-C4' energy: -120.476 flat angles P-C4'-P energy: -81.372 tors. eta vs tors. theta energy: -86.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1125.426379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.426379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.426379 (E_RNA) where: Base-Base interactions energy: -694.747 where: short stacking energy: -319.897 Base-Backbone interact. energy: -1.947 local terms energy: -428.731751 where: bonds (distance) C4'-P energy: -105.565 bonds (distance) P-C4' energy: -105.204 flat angles C4'-P-C4' energy: -106.907 flat angles P-C4'-P energy: -62.576 tors. eta vs tors. theta energy: -48.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -849.884704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.884704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.884704 (E_RNA) where: Base-Base interactions energy: -466.341 where: short stacking energy: -249.064 Base-Backbone interact. energy: -3.556 local terms energy: -379.987854 where: bonds (distance) C4'-P energy: -103.908 bonds (distance) P-C4' energy: -99.485 flat angles C4'-P-C4' energy: -98.091 flat angles P-C4'-P energy: -61.855 tors. eta vs tors. theta energy: -16.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -652.324564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.324564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.324564 (E_RNA) where: Base-Base interactions energy: -322.140 where: short stacking energy: -159.199 Base-Backbone interact. energy: 3.509 local terms energy: -333.693369 where: bonds (distance) C4'-P energy: -83.850 bonds (distance) P-C4' energy: -106.820 flat angles C4'-P-C4' energy: -91.185 flat angles P-C4'-P energy: -66.384 tors. eta vs tors. theta energy: 14.546 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: 6 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -465.970337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.970337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.970337 (E_RNA) where: Base-Base interactions energy: -184.813 where: short stacking energy: -132.412 Base-Backbone interact. energy: -2.705 local terms energy: -278.452750 where: bonds (distance) C4'-P energy: -99.284 bonds (distance) P-C4' energy: -96.180 flat angles C4'-P-C4' energy: -64.082 flat angles P-C4'-P energy: -31.835 tors. eta vs tors. theta energy: 12.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1969.064552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.064552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.064552 (E_RNA) where: Base-Base interactions energy: -1335.953 where: short stacking energy: -566.381 Base-Backbone interact. energy: -1.815 local terms energy: -631.297198 where: bonds (distance) C4'-P energy: -122.916 bonds (distance) P-C4' energy: -113.681 flat angles C4'-P-C4' energy: -142.698 flat angles P-C4'-P energy: -90.051 tors. eta vs tors. theta energy: -161.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1857.709281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.709281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.709281 (E_RNA) where: Base-Base interactions energy: -1250.671 where: short stacking energy: -524.074 Base-Backbone interact. energy: -0.928 local terms energy: -606.110337 where: bonds (distance) C4'-P energy: -124.509 bonds (distance) P-C4' energy: -107.595 flat angles C4'-P-C4' energy: -131.567 flat angles P-C4'-P energy: -84.329 tors. eta vs tors. theta energy: -158.111 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: 3, replica: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1649.512886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.512886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.512886 (E_RNA) where: Base-Base interactions energy: -1049.882 where: short stacking energy: -486.495 Base-Backbone interact. energy: -1.179 local terms energy: -598.451918 where: bonds (distance) C4'-P energy: -122.049 bonds (distance) P-C4' energy: -113.803 flat angles C4'-P-C4' energy: -138.080 flat angles P-C4'-P energy: -77.445 tors. eta vs tors. theta energy: -147.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1436.500183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.500183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.500183 (E_RNA) where: Base-Base interactions energy: -892.096 where: short stacking energy: -365.033 Base-Backbone interact. energy: 1.394 local terms energy: -545.797954 where: bonds (distance) C4'-P energy: -131.677 bonds (distance) P-C4' energy: -127.379 flat angles C4'-P-C4' energy: -114.565 flat angles P-C4'-P energy: -82.268 tors. eta vs tors. theta energy: -89.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1385.212494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.212494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.212494 (E_RNA) where: Base-Base interactions energy: -894.470 where: short stacking energy: -395.564 Base-Backbone interact. energy: -1.906 local terms energy: -488.836527 where: bonds (distance) C4'-P energy: -113.013 bonds (distance) P-C4' energy: -95.073 flat angles C4'-P-C4' energy: -109.862 flat angles P-C4'-P energy: -70.717 tors. eta vs tors. theta energy: -100.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1213.208140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.208140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.208140 (E_RNA) where: Base-Base interactions energy: -740.929 where: short stacking energy: -301.479 Base-Backbone interact. energy: 2.262 local terms energy: -474.541489 where: bonds (distance) C4'-P energy: -106.086 bonds (distance) P-C4' energy: -115.925 flat angles C4'-P-C4' energy: -117.165 flat angles P-C4'-P energy: -70.960 tors. eta vs tors. theta energy: -64.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1128.893677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.893677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.893677 (E_RNA) where: Base-Base interactions energy: -680.780 where: short stacking energy: -318.677 Base-Backbone interact. energy: -2.007 local terms energy: -446.106088 where: bonds (distance) C4'-P energy: -105.352 bonds (distance) P-C4' energy: -107.975 flat angles C4'-P-C4' energy: -107.815 flat angles P-C4'-P energy: -62.436 tors. eta vs tors. theta energy: -62.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -807.613815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.613815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.613815 (E_RNA) where: Base-Base interactions energy: -437.138 where: short stacking energy: -226.776 Base-Backbone interact. energy: -2.339 local terms energy: -368.136162 where: bonds (distance) C4'-P energy: -101.834 bonds (distance) P-C4' energy: -94.645 flat angles C4'-P-C4' energy: -84.888 flat angles P-C4'-P energy: -67.509 tors. eta vs tors. theta energy: -19.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -629.230087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.230087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.230087 (E_RNA) where: Base-Base interactions energy: -282.034 where: short stacking energy: -148.843 Base-Backbone interact. energy: -2.270 local terms energy: -344.926541 where: bonds (distance) C4'-P energy: -101.348 bonds (distance) P-C4' energy: -119.974 flat angles C4'-P-C4' energy: -83.754 flat angles P-C4'-P energy: -56.794 tors. eta vs tors. theta energy: 16.944 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: 6 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -466.014494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.014494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.014494 (E_RNA) where: Base-Base interactions energy: -173.842 where: short stacking energy: -133.877 Base-Backbone interact. energy: 0.434 local terms energy: -292.606292 where: bonds (distance) C4'-P energy: -98.024 bonds (distance) P-C4' energy: -92.849 flat angles C4'-P-C4' energy: -77.352 flat angles P-C4'-P energy: -58.588 tors. eta vs tors. theta energy: 34.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1964.954481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.954481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.954481 (E_RNA) where: Base-Base interactions energy: -1334.499 where: short stacking energy: -553.585 Base-Backbone interact. energy: -3.108 local terms energy: -627.347772 where: bonds (distance) C4'-P energy: -113.834 bonds (distance) P-C4' energy: -117.384 flat angles C4'-P-C4' energy: -138.642 flat angles P-C4'-P energy: -99.187 tors. eta vs tors. theta energy: -158.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1863.037068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.037068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.037068 (E_RNA) where: Base-Base interactions energy: -1227.126 where: short stacking energy: -536.989 Base-Backbone interact. energy: -1.842 local terms energy: -634.069661 where: bonds (distance) C4'-P energy: -129.233 bonds (distance) P-C4' energy: -119.960 flat angles C4'-P-C4' energy: -130.593 flat angles P-C4'-P energy: -90.722 tors. eta vs tors. theta energy: -163.562 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: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1662.595615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.595615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.595615 (E_RNA) where: Base-Base interactions energy: -1070.545 where: short stacking energy: -480.942 Base-Backbone interact. energy: -1.969 local terms energy: -590.081260 where: bonds (distance) C4'-P energy: -106.924 bonds (distance) P-C4' energy: -124.190 flat angles C4'-P-C4' energy: -130.745 flat angles P-C4'-P energy: -79.774 tors. eta vs tors. theta energy: -148.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1498.169442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.169442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.169442 (E_RNA) where: Base-Base interactions energy: -961.760 where: short stacking energy: -424.781 Base-Backbone interact. energy: -1.159 local terms energy: -535.250413 where: bonds (distance) C4'-P energy: -111.295 bonds (distance) P-C4' energy: -105.915 flat angles C4'-P-C4' energy: -124.844 flat angles P-C4'-P energy: -82.006 tors. eta vs tors. theta energy: -111.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1414.537119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.537119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.537119 (E_RNA) where: Base-Base interactions energy: -911.329 where: short stacking energy: -429.009 Base-Backbone interact. energy: -2.193 local terms energy: -501.014648 where: bonds (distance) C4'-P energy: -102.798 bonds (distance) P-C4' energy: -103.516 flat angles C4'-P-C4' energy: -117.831 flat angles P-C4'-P energy: -71.645 tors. eta vs tors. theta energy: -105.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1252.997786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.997786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.997786 (E_RNA) where: Base-Base interactions energy: -806.361 where: short stacking energy: -366.594 Base-Backbone interact. energy: -0.083 local terms energy: -446.553740 where: bonds (distance) C4'-P energy: -95.868 bonds (distance) P-C4' energy: -97.269 flat angles C4'-P-C4' energy: -94.474 flat angles P-C4'-P energy: -72.995 tors. eta vs tors. theta energy: -85.947 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: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1015.796918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.796918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.796918 (E_RNA) where: Base-Base interactions energy: -596.069 where: short stacking energy: -301.355 Base-Backbone interact. energy: -0.367 local terms energy: -419.360924 where: bonds (distance) C4'-P energy: -92.404 bonds (distance) P-C4' energy: -109.784 flat angles C4'-P-C4' energy: -107.350 flat angles P-C4'-P energy: -59.368 tors. eta vs tors. theta energy: -50.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -816.574107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.574107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.574107 (E_RNA) where: Base-Base interactions energy: -436.343 where: short stacking energy: -209.709 Base-Backbone interact. energy: -2.205 local terms energy: -378.026424 where: bonds (distance) C4'-P energy: -101.244 bonds (distance) P-C4' energy: -103.693 flat angles C4'-P-C4' energy: -107.594 flat angles P-C4'-P energy: -53.121 tors. eta vs tors. theta energy: -12.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -646.110624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.110624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.110624 (E_RNA) where: Base-Base interactions energy: -306.353 where: short stacking energy: -188.429 Base-Backbone interact. energy: 1.826 local terms energy: -341.583698 where: bonds (distance) C4'-P energy: -95.684 bonds (distance) P-C4' energy: -108.592 flat angles C4'-P-C4' energy: -84.767 flat angles P-C4'-P energy: -56.422 tors. eta vs tors. theta energy: 3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -485.804377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.804377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.804377 (E_RNA) where: Base-Base interactions energy: -160.049 where: short stacking energy: -121.960 Base-Backbone interact. energy: 6.972 local terms energy: -332.726946 where: bonds (distance) C4'-P energy: -92.981 bonds (distance) P-C4' energy: -122.554 flat angles C4'-P-C4' energy: -98.364 flat angles P-C4'-P energy: -41.894 tors. eta vs tors. theta energy: 23.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1997.845161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.845161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.845161 (E_RNA) where: Base-Base interactions energy: -1329.321 where: short stacking energy: -567.490 Base-Backbone interact. energy: 1.184 local terms energy: -669.708280 where: bonds (distance) C4'-P energy: -129.291 bonds (distance) P-C4' energy: -119.060 flat angles C4'-P-C4' energy: -152.165 flat angles P-C4'-P energy: -101.252 tors. eta vs tors. theta energy: -167.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1849.948137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.948137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.948137 (E_RNA) where: Base-Base interactions energy: -1210.230 where: short stacking energy: -523.595 Base-Backbone interact. energy: -1.740 local terms energy: -637.978653 where: bonds (distance) C4'-P energy: -127.193 bonds (distance) P-C4' energy: -129.882 flat angles C4'-P-C4' energy: -128.522 flat angles P-C4'-P energy: -93.635 tors. eta vs tors. theta energy: -158.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1681.189573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.189573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.189573 (E_RNA) where: Base-Base interactions energy: -1084.764 where: short stacking energy: -515.284 Base-Backbone interact. energy: -1.142 local terms energy: -595.284186 where: bonds (distance) C4'-P energy: -119.967 bonds (distance) P-C4' energy: -118.498 flat angles C4'-P-C4' energy: -131.476 flat angles P-C4'-P energy: -88.075 tors. eta vs tors. theta energy: -137.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1446.113455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.113455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.113455 (E_RNA) where: Base-Base interactions energy: -922.190 where: short stacking energy: -427.669 Base-Backbone interact. energy: 0.500 local terms energy: -524.423682 where: bonds (distance) C4'-P energy: -112.290 bonds (distance) P-C4' energy: -120.553 flat angles C4'-P-C4' energy: -127.518 flat angles P-C4'-P energy: -66.700 tors. eta vs tors. theta energy: -97.363 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: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1379.909494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.909494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.909494 (E_RNA) where: Base-Base interactions energy: -891.049 where: short stacking energy: -414.737 Base-Backbone interact. energy: -0.757 local terms energy: -488.103953 where: bonds (distance) C4'-P energy: -98.325 bonds (distance) P-C4' energy: -108.338 flat angles C4'-P-C4' energy: -114.854 flat angles P-C4'-P energy: -73.578 tors. eta vs tors. theta energy: -93.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1253.274541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.274541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.274541 (E_RNA) where: Base-Base interactions energy: -774.075 where: short stacking energy: -356.585 Base-Backbone interact. energy: -1.588 local terms energy: -477.611746 where: bonds (distance) C4'-P energy: -124.708 bonds (distance) P-C4' energy: -111.343 flat angles C4'-P-C4' energy: -102.081 flat angles P-C4'-P energy: -60.039 tors. eta vs tors. theta energy: -79.440 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: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1111.291548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.291548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.291548 (E_RNA) where: Base-Base interactions energy: -703.711 where: short stacking energy: -307.593 Base-Backbone interact. energy: 1.010 local terms energy: -408.590553 where: bonds (distance) C4'-P energy: -103.524 bonds (distance) P-C4' energy: -101.295 flat angles C4'-P-C4' energy: -86.340 flat angles P-C4'-P energy: -62.823 tors. eta vs tors. theta energy: -54.609 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: 8 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -798.769756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.769756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.769756 (E_RNA) where: Base-Base interactions energy: -420.139 where: short stacking energy: -212.943 Base-Backbone interact. energy: 0.517 local terms energy: -379.147782 where: bonds (distance) C4'-P energy: -106.023 bonds (distance) P-C4' energy: -101.296 flat angles C4'-P-C4' energy: -108.107 flat angles P-C4'-P energy: -57.427 tors. eta vs tors. theta energy: -6.294 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: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -660.886140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.886140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.886140 (E_RNA) where: Base-Base interactions energy: -327.763 where: short stacking energy: -167.592 Base-Backbone interact. energy: -1.704 local terms energy: -331.418619 where: bonds (distance) C4'-P energy: -84.268 bonds (distance) P-C4' energy: -121.156 flat angles C4'-P-C4' energy: -82.422 flat angles P-C4'-P energy: -61.935 tors. eta vs tors. theta energy: 18.363 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: 6 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -509.514477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.514477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.514477 (E_RNA) where: Base-Base interactions energy: -208.161 where: short stacking energy: -142.148 Base-Backbone interact. energy: -1.278 local terms energy: -300.074873 where: bonds (distance) C4'-P energy: -106.616 bonds (distance) P-C4' energy: -87.923 flat angles C4'-P-C4' energy: -91.050 flat angles P-C4'-P energy: -45.891 tors. eta vs tors. theta energy: 31.404 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: 1, replica: 10 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2009.225624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.225624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.225624 (E_RNA) where: Base-Base interactions energy: -1358.285 where: short stacking energy: -562.712 Base-Backbone interact. energy: 2.467 local terms energy: -653.407348 where: bonds (distance) C4'-P energy: -120.522 bonds (distance) P-C4' energy: -130.214 flat angles C4'-P-C4' energy: -150.574 flat angles P-C4'-P energy: -93.572 tors. eta vs tors. theta energy: -158.525 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: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1869.409383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.409383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.409383 (E_RNA) where: Base-Base interactions energy: -1230.011 where: short stacking energy: -555.198 Base-Backbone interact. energy: 0.717 local terms energy: -640.115895 where: bonds (distance) C4'-P energy: -120.358 bonds (distance) P-C4' energy: -119.282 flat angles C4'-P-C4' energy: -138.253 flat angles P-C4'-P energy: -87.317 tors. eta vs tors. theta energy: -174.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1747.333560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.333560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.333560 (E_RNA) where: Base-Base interactions energy: -1139.085 where: short stacking energy: -518.185 Base-Backbone interact. energy: 0.909 local terms energy: -609.157521 where: bonds (distance) C4'-P energy: -106.950 bonds (distance) P-C4' energy: -120.279 flat angles C4'-P-C4' energy: -135.375 flat angles P-C4'-P energy: -94.137 tors. eta vs tors. theta energy: -152.416 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: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1452.214998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.214998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.214998 (E_RNA) where: Base-Base interactions energy: -900.904 where: short stacking energy: -427.542 Base-Backbone interact. energy: -3.949 local terms energy: -547.361603 where: bonds (distance) C4'-P energy: -102.591 bonds (distance) P-C4' energy: -122.766 flat angles C4'-P-C4' energy: -135.967 flat angles P-C4'-P energy: -70.756 tors. eta vs tors. theta energy: -115.282 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: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1402.886603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.886603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.886603 (E_RNA) where: Base-Base interactions energy: -880.751 where: short stacking energy: -413.466 Base-Backbone interact. energy: -1.651 local terms energy: -520.485207 where: bonds (distance) C4'-P energy: -113.575 bonds (distance) P-C4' energy: -109.574 flat angles C4'-P-C4' energy: -113.189 flat angles P-C4'-P energy: -72.033 tors. eta vs tors. theta energy: -112.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1330.421088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.421088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.421088 (E_RNA) where: Base-Base interactions energy: -852.691 where: short stacking energy: -378.422 Base-Backbone interact. energy: -1.809 local terms energy: -475.920867 where: bonds (distance) C4'-P energy: -109.888 bonds (distance) P-C4' energy: -106.466 flat angles C4'-P-C4' energy: -96.930 flat angles P-C4'-P energy: -71.837 tors. eta vs tors. theta energy: -90.800 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: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1061.456493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.456493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.456493 (E_RNA) where: Base-Base interactions energy: -610.929 where: short stacking energy: -304.842 Base-Backbone interact. energy: -0.655 local terms energy: -449.872329 where: bonds (distance) C4'-P energy: -118.041 bonds (distance) P-C4' energy: -111.475 flat angles C4'-P-C4' energy: -100.817 flat angles P-C4'-P energy: -67.052 tors. eta vs tors. theta energy: -52.487 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: 8 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -843.324306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.324306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.324306 (E_RNA) where: Base-Base interactions energy: -469.293 where: short stacking energy: -238.790 Base-Backbone interact. energy: -0.452 local terms energy: -373.579568 where: bonds (distance) C4'-P energy: -99.112 bonds (distance) P-C4' energy: -117.933 flat angles C4'-P-C4' energy: -89.718 flat angles P-C4'-P energy: -54.046 tors. eta vs tors. theta energy: -12.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -673.721528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.721528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.721528 (E_RNA) where: Base-Base interactions energy: -345.409 where: short stacking energy: -198.153 Base-Backbone interact. energy: -1.822 local terms energy: -326.490778 where: bonds (distance) C4'-P energy: -92.013 bonds (distance) P-C4' energy: -93.509 flat angles C4'-P-C4' energy: -88.881 flat angles P-C4'-P energy: -53.995 tors. eta vs tors. theta energy: 1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -467.641029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.641029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.641029 (E_RNA) where: Base-Base interactions energy: -161.227 where: short stacking energy: -129.031 Base-Backbone interact. energy: 1.520 local terms energy: -307.934167 where: bonds (distance) C4'-P energy: -100.656 bonds (distance) P-C4' energy: -88.982 flat angles C4'-P-C4' energy: -89.922 flat angles P-C4'-P energy: -47.910 tors. eta vs tors. theta energy: 19.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1964.078243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.078243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.078243 (E_RNA) where: Base-Base interactions energy: -1317.885 where: short stacking energy: -561.687 Base-Backbone interact. energy: -2.399 local terms energy: -643.794682 where: bonds (distance) C4'-P energy: -121.201 bonds (distance) P-C4' energy: -124.182 flat angles C4'-P-C4' energy: -133.261 flat angles P-C4'-P energy: -95.740 tors. eta vs tors. theta energy: -169.410 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: 2, replica: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1892.252487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.252487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.252487 (E_RNA) where: Base-Base interactions energy: -1241.280 where: short stacking energy: -567.787 Base-Backbone interact. energy: -2.724 local terms energy: -648.248498 where: bonds (distance) C4'-P energy: -120.275 bonds (distance) P-C4' energy: -134.801 flat angles C4'-P-C4' energy: -135.069 flat angles P-C4'-P energy: -83.668 tors. eta vs tors. theta energy: -174.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1774.112760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.112760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.112760 (E_RNA) where: Base-Base interactions energy: -1178.335 where: short stacking energy: -528.188 Base-Backbone interact. energy: -1.834 local terms energy: -593.943065 where: bonds (distance) C4'-P energy: -111.960 bonds (distance) P-C4' energy: -111.318 flat angles C4'-P-C4' energy: -127.361 flat angles P-C4'-P energy: -88.570 tors. eta vs tors. theta energy: -154.734 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: 4, replica: 2 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1437.449954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.449954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.449954 (E_RNA) where: Base-Base interactions energy: -934.633 where: short stacking energy: -412.919 Base-Backbone interact. energy: -1.828 local terms energy: -500.989261 where: bonds (distance) C4'-P energy: -117.585 bonds (distance) P-C4' energy: -118.815 flat angles C4'-P-C4' energy: -98.656 flat angles P-C4'-P energy: -69.440 tors. eta vs tors. theta energy: -96.494 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: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1419.274988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.274988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.274988 (E_RNA) where: Base-Base interactions energy: -897.810 where: short stacking energy: -418.804 Base-Backbone interact. energy: -0.757 local terms energy: -520.708369 where: bonds (distance) C4'-P energy: -115.937 bonds (distance) P-C4' energy: -121.156 flat angles C4'-P-C4' energy: -110.073 flat angles P-C4'-P energy: -61.296 tors. eta vs tors. theta energy: -112.246 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: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1398.407252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.407252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.407252 (E_RNA) where: Base-Base interactions energy: -905.339 where: short stacking energy: -385.102 Base-Backbone interact. energy: 2.858 local terms energy: -495.925841 where: bonds (distance) C4'-P energy: -120.716 bonds (distance) P-C4' energy: -97.779 flat angles C4'-P-C4' energy: -111.756 flat angles P-C4'-P energy: -82.302 tors. eta vs tors. theta energy: -83.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -996.080641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.080641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.080641 (E_RNA) where: Base-Base interactions energy: -585.386 where: short stacking energy: -286.155 Base-Backbone interact. energy: -1.071 local terms energy: -409.622846 where: bonds (distance) C4'-P energy: -103.973 bonds (distance) P-C4' energy: -110.247 flat angles C4'-P-C4' energy: -100.889 flat angles P-C4'-P energy: -44.831 tors. eta vs tors. theta energy: -49.683 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: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -797.314412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.314412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.314412 (E_RNA) where: Base-Base interactions energy: -437.860 where: short stacking energy: -228.272 Base-Backbone interact. energy: 3.539 local terms energy: -362.993198 where: bonds (distance) C4'-P energy: -99.999 bonds (distance) P-C4' energy: -117.492 flat angles C4'-P-C4' energy: -74.829 flat angles P-C4'-P energy: -55.727 tors. eta vs tors. theta energy: -14.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -646.603134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.603134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.603134 (E_RNA) where: Base-Base interactions energy: -323.484 where: short stacking energy: -186.152 Base-Backbone interact. energy: -0.244 local terms energy: -322.874594 where: bonds (distance) C4'-P energy: -106.310 bonds (distance) P-C4' energy: -93.838 flat angles C4'-P-C4' energy: -86.392 flat angles P-C4'-P energy: -44.915 tors. eta vs tors. theta energy: 8.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -446.671821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.671821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.671821 (E_RNA) where: Base-Base interactions energy: -128.618 where: short stacking energy: -97.707 Base-Backbone interact. energy: -0.786 local terms energy: -317.268202 where: bonds (distance) C4'-P energy: -91.863 bonds (distance) P-C4' energy: -112.741 flat angles C4'-P-C4' energy: -92.831 flat angles P-C4'-P energy: -59.090 tors. eta vs tors. theta energy: 39.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2025.689827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.689827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.689827 (E_RNA) where: Base-Base interactions energy: -1371.317 where: short stacking energy: -557.277 Base-Backbone interact. energy: 0.395 local terms energy: -654.767904 where: bonds (distance) C4'-P energy: -121.045 bonds (distance) P-C4' energy: -134.683 flat angles C4'-P-C4' energy: -134.596 flat angles P-C4'-P energy: -91.163 tors. eta vs tors. theta energy: -173.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1880.576220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.576220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.576220 (E_RNA) where: Base-Base interactions energy: -1234.043 where: short stacking energy: -554.908 Base-Backbone interact. energy: -3.614 local terms energy: -642.918566 where: bonds (distance) C4'-P energy: -119.272 bonds (distance) P-C4' energy: -122.617 flat angles C4'-P-C4' energy: -135.734 flat angles P-C4'-P energy: -96.465 tors. eta vs tors. theta energy: -168.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1780.376405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.376405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.376405 (E_RNA) where: Base-Base interactions energy: -1189.517 where: short stacking energy: -507.077 Base-Backbone interact. energy: -1.437 local terms energy: -589.422840 where: bonds (distance) C4'-P energy: -116.271 bonds (distance) P-C4' energy: -105.099 flat angles C4'-P-C4' energy: -126.051 flat angles P-C4'-P energy: -93.755 tors. eta vs tors. theta energy: -148.247 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: 4, replica: 2 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1484.497862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.497862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.497862 (E_RNA) where: Base-Base interactions energy: -979.519 where: short stacking energy: -423.203 Base-Backbone interact. energy: -2.349 local terms energy: -502.630084 where: bonds (distance) C4'-P energy: -98.377 bonds (distance) P-C4' energy: -100.967 flat angles C4'-P-C4' energy: -135.139 flat angles P-C4'-P energy: -68.900 tors. eta vs tors. theta energy: -99.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1382.122071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.122071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.122071 (E_RNA) where: Base-Base interactions energy: -872.784 where: short stacking energy: -383.230 Base-Backbone interact. energy: -3.619 local terms energy: -505.719203 where: bonds (distance) C4'-P energy: -102.185 bonds (distance) P-C4' energy: -128.766 flat angles C4'-P-C4' energy: -107.029 flat angles P-C4'-P energy: -70.554 tors. eta vs tors. theta energy: -97.185 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: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1330.112384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.112384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.112384 (E_RNA) where: Base-Base interactions energy: -878.638 where: short stacking energy: -385.719 Base-Backbone interact. energy: -1.538 local terms energy: -449.936523 where: bonds (distance) C4'-P energy: -87.819 bonds (distance) P-C4' energy: -95.322 flat angles C4'-P-C4' energy: -105.455 flat angles P-C4'-P energy: -64.912 tors. eta vs tors. theta energy: -96.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1030.664705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.664705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.664705 (E_RNA) where: Base-Base interactions energy: -595.429 where: short stacking energy: -275.908 Base-Backbone interact. energy: 1.358 local terms energy: -436.593792 where: bonds (distance) C4'-P energy: -103.258 bonds (distance) P-C4' energy: -105.842 flat angles C4'-P-C4' energy: -99.266 flat angles P-C4'-P energy: -69.791 tors. eta vs tors. theta energy: -58.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -769.990826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.990826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.990826 (E_RNA) where: Base-Base interactions energy: -409.032 where: short stacking energy: -213.895 Base-Backbone interact. energy: -2.685 local terms energy: -358.273705 where: bonds (distance) C4'-P energy: -111.183 bonds (distance) P-C4' energy: -98.809 flat angles C4'-P-C4' energy: -82.990 flat angles P-C4'-P energy: -46.192 tors. eta vs tors. theta energy: -19.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -652.569128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.569128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.569128 (E_RNA) where: Base-Base interactions energy: -307.453 where: short stacking energy: -198.102 Base-Backbone interact. energy: -1.775 local terms energy: -343.341651 where: bonds (distance) C4'-P energy: -94.746 bonds (distance) P-C4' energy: -105.400 flat angles C4'-P-C4' energy: -102.495 flat angles P-C4'-P energy: -30.916 tors. eta vs tors. theta energy: -9.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -474.551065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.551065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.551065 (E_RNA) where: Base-Base interactions energy: -153.096 where: short stacking energy: -121.413 Base-Backbone interact. energy: 1.991 local terms energy: -323.446893 where: bonds (distance) C4'-P energy: -103.573 bonds (distance) P-C4' energy: -99.565 flat angles C4'-P-C4' energy: -89.551 flat angles P-C4'-P energy: -47.493 tors. eta vs tors. theta energy: 16.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2002.825101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.825101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.825101 (E_RNA) where: Base-Base interactions energy: -1379.804 where: short stacking energy: -571.835 Base-Backbone interact. energy: 0.883 local terms energy: -623.904728 where: bonds (distance) C4'-P energy: -120.727 bonds (distance) P-C4' energy: -115.629 flat angles C4'-P-C4' energy: -131.647 flat angles P-C4'-P energy: -88.959 tors. eta vs tors. theta energy: -166.942 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: 69 Temperature: 0.950000 Total energy: -1852.798561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.798561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.798561 (E_RNA) where: Base-Base interactions energy: -1214.547 where: short stacking energy: -553.276 Base-Backbone interact. energy: 1.215 local terms energy: -639.466169 where: bonds (distance) C4'-P energy: -124.933 bonds (distance) P-C4' energy: -129.447 flat angles C4'-P-C4' energy: -139.711 flat angles P-C4'-P energy: -86.009 tors. eta vs tors. theta energy: -159.365 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: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1770.414071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.414071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.414071 (E_RNA) where: Base-Base interactions energy: -1166.752 where: short stacking energy: -503.301 Base-Backbone interact. energy: -2.857 local terms energy: -600.804812 where: bonds (distance) C4'-P energy: -121.126 bonds (distance) P-C4' energy: -119.672 flat angles C4'-P-C4' energy: -130.658 flat angles P-C4'-P energy: -80.485 tors. eta vs tors. theta energy: -148.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1464.988161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.988161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.988161 (E_RNA) where: Base-Base interactions energy: -896.709 where: short stacking energy: -418.988 Base-Backbone interact. energy: -2.551 local terms energy: -565.727813 where: bonds (distance) C4'-P energy: -102.165 bonds (distance) P-C4' energy: -116.914 flat angles C4'-P-C4' energy: -134.073 flat angles P-C4'-P energy: -88.451 tors. eta vs tors. theta energy: -124.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1459.152669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.152669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.152669 (E_RNA) where: Base-Base interactions energy: -950.501 where: short stacking energy: -415.474 Base-Backbone interact. energy: 0.051 local terms energy: -508.703011 where: bonds (distance) C4'-P energy: -100.468 bonds (distance) P-C4' energy: -109.924 flat angles C4'-P-C4' energy: -107.694 flat angles P-C4'-P energy: -79.783 tors. eta vs tors. theta energy: -110.834 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: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1363.908891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.908891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.908891 (E_RNA) where: Base-Base interactions energy: -885.975 where: short stacking energy: -402.241 Base-Backbone interact. energy: -4.201 local terms energy: -473.732740 where: bonds (distance) C4'-P energy: -85.351 bonds (distance) P-C4' energy: -107.098 flat angles C4'-P-C4' energy: -116.393 flat angles P-C4'-P energy: -59.812 tors. eta vs tors. theta energy: -105.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1074.590911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.590911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.590911 (E_RNA) where: Base-Base interactions energy: -650.396 where: short stacking energy: -298.968 Base-Backbone interact. energy: 1.877 local terms energy: -426.071381 where: bonds (distance) C4'-P energy: -97.151 bonds (distance) P-C4' energy: -106.728 flat angles C4'-P-C4' energy: -91.293 flat angles P-C4'-P energy: -69.470 tors. eta vs tors. theta energy: -61.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -735.098577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.098577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.098577 (E_RNA) where: Base-Base interactions energy: -372.939 where: short stacking energy: -190.788 Base-Backbone interact. energy: 0.101 local terms energy: -362.259972 where: bonds (distance) C4'-P energy: -102.327 bonds (distance) P-C4' energy: -114.462 flat angles C4'-P-C4' energy: -81.068 flat angles P-C4'-P energy: -57.205 tors. eta vs tors. theta energy: -7.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -675.425607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.425607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.425607 (E_RNA) where: Base-Base interactions energy: -335.950 where: short stacking energy: -191.792 Base-Backbone interact. energy: -0.826 local terms energy: -338.650073 where: bonds (distance) C4'-P energy: -89.109 bonds (distance) P-C4' energy: -108.781 flat angles C4'-P-C4' energy: -85.066 flat angles P-C4'-P energy: -48.050 tors. eta vs tors. theta energy: -7.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -485.646288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.646288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.646288 (E_RNA) where: Base-Base interactions energy: -178.596 where: short stacking energy: -134.820 Base-Backbone interact. energy: -0.087 local terms energy: -306.963031 where: bonds (distance) C4'-P energy: -88.853 bonds (distance) P-C4' energy: -91.883 flat angles C4'-P-C4' energy: -92.678 flat angles P-C4'-P energy: -59.795 tors. eta vs tors. theta energy: 26.245 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: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2011.697612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.697612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.697612 (E_RNA) where: Base-Base interactions energy: -1370.465 where: short stacking energy: -574.455 Base-Backbone interact. energy: -0.524 local terms energy: -640.709062 where: bonds (distance) C4'-P energy: -130.192 bonds (distance) P-C4' energy: -129.478 flat angles C4'-P-C4' energy: -130.484 flat angles P-C4'-P energy: -76.730 tors. eta vs tors. theta energy: -173.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1830.170711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.170711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.170711 (E_RNA) where: Base-Base interactions energy: -1202.753 where: short stacking energy: -539.301 Base-Backbone interact. energy: -3.161 local terms energy: -624.256247 where: bonds (distance) C4'-P energy: -103.194 bonds (distance) P-C4' energy: -134.621 flat angles C4'-P-C4' energy: -134.936 flat angles P-C4'-P energy: -90.857 tors. eta vs tors. theta energy: -160.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1791.680525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.680525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.680525 (E_RNA) where: Base-Base interactions energy: -1195.160 where: short stacking energy: -552.926 Base-Backbone interact. energy: -3.298 local terms energy: -593.222599 where: bonds (distance) C4'-P energy: -113.869 bonds (distance) P-C4' energy: -106.169 flat angles C4'-P-C4' energy: -129.515 flat angles P-C4'-P energy: -80.981 tors. eta vs tors. theta energy: -162.688 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: 70 Temperature: 1.050000 Total energy: -1502.247867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.247867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.247867 (E_RNA) where: Base-Base interactions energy: -922.619 where: short stacking energy: -433.992 Base-Backbone interact. energy: -2.383 local terms energy: -577.245276 where: bonds (distance) C4'-P energy: -129.222 bonds (distance) P-C4' energy: -121.766 flat angles C4'-P-C4' energy: -122.314 flat angles P-C4'-P energy: -84.967 tors. eta vs tors. theta energy: -118.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1497.879458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.879458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.879458 (E_RNA) where: Base-Base interactions energy: -977.264 where: short stacking energy: -429.944 Base-Backbone interact. energy: -3.765 local terms energy: -516.850378 where: bonds (distance) C4'-P energy: -99.003 bonds (distance) P-C4' energy: -107.733 flat angles C4'-P-C4' energy: -123.339 flat angles P-C4'-P energy: -67.175 tors. eta vs tors. theta energy: -119.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1362.502593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.502593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.502593 (E_RNA) where: Base-Base interactions energy: -886.425 where: short stacking energy: -375.478 Base-Backbone interact. energy: -2.027 local terms energy: -474.049946 where: bonds (distance) C4'-P energy: -92.971 bonds (distance) P-C4' energy: -107.402 flat angles C4'-P-C4' energy: -108.144 flat angles P-C4'-P energy: -65.676 tors. eta vs tors. theta energy: -99.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1079.391853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.391853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.391853 (E_RNA) where: Base-Base interactions energy: -622.630 where: short stacking energy: -308.829 Base-Backbone interact. energy: 0.258 local terms energy: -457.019998 where: bonds (distance) C4'-P energy: -115.444 bonds (distance) P-C4' energy: -101.497 flat angles C4'-P-C4' energy: -107.799 flat angles P-C4'-P energy: -59.166 tors. eta vs tors. theta energy: -73.113 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: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -735.137399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.137399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.137399 (E_RNA) where: Base-Base interactions energy: -353.366 where: short stacking energy: -185.008 Base-Backbone interact. energy: 5.200 local terms energy: -386.971153 where: bonds (distance) C4'-P energy: -108.549 bonds (distance) P-C4' energy: -118.831 flat angles C4'-P-C4' energy: -97.305 flat angles P-C4'-P energy: -62.345 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: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -661.623870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.623870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.623870 (E_RNA) where: Base-Base interactions energy: -299.485 where: short stacking energy: -184.872 Base-Backbone interact. energy: 5.182 local terms energy: -367.320644 where: bonds (distance) C4'-P energy: -102.090 bonds (distance) P-C4' energy: -113.975 flat angles C4'-P-C4' energy: -104.511 flat angles P-C4'-P energy: -45.143 tors. eta vs tors. theta energy: -1.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -457.045436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.045436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.045436 (E_RNA) where: Base-Base interactions energy: -166.605 where: short stacking energy: -126.056 Base-Backbone interact. energy: 2.314 local terms energy: -292.754192 where: bonds (distance) C4'-P energy: -93.714 bonds (distance) P-C4' energy: -100.043 flat angles C4'-P-C4' energy: -64.861 flat angles P-C4'-P energy: -49.770 tors. eta vs tors. theta energy: 15.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1997.824835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.824835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.824835 (E_RNA) where: Base-Base interactions energy: -1354.599 where: short stacking energy: -563.249 Base-Backbone interact. energy: -0.522 local terms energy: -642.704787 where: bonds (distance) C4'-P energy: -127.286 bonds (distance) P-C4' energy: -118.192 flat angles C4'-P-C4' energy: -134.031 flat angles P-C4'-P energy: -98.780 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: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1841.878913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.878913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.878913 (E_RNA) where: Base-Base interactions energy: -1193.180 where: short stacking energy: -531.722 Base-Backbone interact. energy: -2.178 local terms energy: -646.520894 where: bonds (distance) C4'-P energy: -126.631 bonds (distance) P-C4' energy: -132.158 flat angles C4'-P-C4' energy: -136.253 flat angles P-C4'-P energy: -91.315 tors. eta vs tors. theta energy: -160.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1794.862125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.862125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.862125 (E_RNA) where: Base-Base interactions energy: -1194.219 where: short stacking energy: -517.809 Base-Backbone interact. energy: 1.068 local terms energy: -601.710440 where: bonds (distance) C4'-P energy: -110.763 bonds (distance) P-C4' energy: -121.622 flat angles C4'-P-C4' energy: -123.992 flat angles P-C4'-P energy: -87.414 tors. eta vs tors. theta energy: -157.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1508.595926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.595926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.595926 (E_RNA) where: Base-Base interactions energy: -965.934 where: short stacking energy: -441.399 Base-Backbone interact. energy: -0.120 local terms energy: -542.542065 where: bonds (distance) C4'-P energy: -99.466 bonds (distance) P-C4' energy: -119.253 flat angles C4'-P-C4' energy: -119.619 flat angles P-C4'-P energy: -93.275 tors. eta vs tors. theta energy: -110.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1458.693803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.693803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.693803 (E_RNA) where: Base-Base interactions energy: -937.089 where: short stacking energy: -397.785 Base-Backbone interact. energy: -3.055 local terms energy: -518.550627 where: bonds (distance) C4'-P energy: -102.462 bonds (distance) P-C4' energy: -114.972 flat angles C4'-P-C4' energy: -113.950 flat angles P-C4'-P energy: -80.593 tors. eta vs tors. theta energy: -106.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1316.896755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.896755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.896755 (E_RNA) where: Base-Base interactions energy: -831.029 where: short stacking energy: -351.855 Base-Backbone interact. energy: 2.649 local terms energy: -488.517377 where: bonds (distance) C4'-P energy: -114.957 bonds (distance) P-C4' energy: -116.081 flat angles C4'-P-C4' energy: -110.275 flat angles P-C4'-P energy: -56.343 tors. eta vs tors. theta energy: -90.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1069.454378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.454378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.454378 (E_RNA) where: Base-Base interactions energy: -618.094 where: short stacking energy: -275.382 Base-Backbone interact. energy: -0.881 local terms energy: -450.480128 where: bonds (distance) C4'-P energy: -107.444 bonds (distance) P-C4' energy: -117.384 flat angles C4'-P-C4' energy: -99.383 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: -57.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -755.743644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.743644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.743644 (E_RNA) where: Base-Base interactions energy: -393.906 where: short stacking energy: -200.841 Base-Backbone interact. energy: 3.724 local terms energy: -365.560867 where: bonds (distance) C4'-P energy: -115.877 bonds (distance) P-C4' energy: -116.090 flat angles C4'-P-C4' energy: -68.145 flat angles P-C4'-P energy: -52.394 tors. eta vs tors. theta energy: -13.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -616.479451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.479451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.479451 (E_RNA) where: Base-Base interactions energy: -256.085 where: short stacking energy: -143.196 Base-Backbone interact. energy: -3.152 local terms energy: -357.243139 where: bonds (distance) C4'-P energy: -96.106 bonds (distance) P-C4' energy: -105.640 flat angles C4'-P-C4' energy: -101.880 flat angles P-C4'-P energy: -57.572 tors. eta vs tors. theta energy: 3.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -468.914127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.914127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.914127 (E_RNA) where: Base-Base interactions energy: -149.234 where: short stacking energy: -116.016 Base-Backbone interact. energy: -0.345 local terms energy: -319.335308 where: bonds (distance) C4'-P energy: -104.699 bonds (distance) P-C4' energy: -107.608 flat angles C4'-P-C4' energy: -87.736 flat angles P-C4'-P energy: -37.405 tors. eta vs tors. theta energy: 18.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1961.642756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.642756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.642756 (E_RNA) where: Base-Base interactions energy: -1330.842 where: short stacking energy: -584.768 Base-Backbone interact. energy: -1.235 local terms energy: -629.565995 where: bonds (distance) C4'-P energy: -121.760 bonds (distance) P-C4' energy: -120.336 flat angles C4'-P-C4' energy: -142.672 flat angles P-C4'-P energy: -78.853 tors. eta vs tors. theta energy: -165.945 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: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1853.840034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.840034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.840034 (E_RNA) where: Base-Base interactions energy: -1220.772 where: short stacking energy: -527.895 Base-Backbone interact. energy: -2.908 local terms energy: -630.160914 where: bonds (distance) C4'-P energy: -110.177 bonds (distance) P-C4' energy: -125.151 flat angles C4'-P-C4' energy: -136.436 flat angles P-C4'-P energy: -96.881 tors. eta vs tors. theta energy: -161.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1803.931292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.931292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.931292 (E_RNA) where: Base-Base interactions energy: -1229.286 where: short stacking energy: -526.023 Base-Backbone interact. energy: 1.302 local terms energy: -575.947258 where: bonds (distance) C4'-P energy: -110.738 bonds (distance) P-C4' energy: -117.008 flat angles C4'-P-C4' energy: -126.020 flat angles P-C4'-P energy: -71.735 tors. eta vs tors. theta energy: -150.447 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: 72 Temperature: 1.050000 Total energy: -1551.247795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.247795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.247795 (E_RNA) where: Base-Base interactions energy: -1005.268 where: short stacking energy: -445.646 Base-Backbone interact. energy: -1.187 local terms energy: -544.793346 where: bonds (distance) C4'-P energy: -121.372 bonds (distance) P-C4' energy: -112.017 flat angles C4'-P-C4' energy: -131.040 flat angles P-C4'-P energy: -62.686 tors. eta vs tors. theta energy: -117.679 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: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1530.445398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.445398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.445398 (E_RNA) where: Base-Base interactions energy: -972.388 where: short stacking energy: -430.217 Base-Backbone interact. energy: -0.446 local terms energy: -557.611549 where: bonds (distance) C4'-P energy: -122.831 bonds (distance) P-C4' energy: -107.659 flat angles C4'-P-C4' energy: -129.456 flat angles P-C4'-P energy: -80.952 tors. eta vs tors. theta energy: -116.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1323.684447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.684447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.684447 (E_RNA) where: Base-Base interactions energy: -838.690 where: short stacking energy: -363.127 Base-Backbone interact. energy: -1.637 local terms energy: -483.357261 where: bonds (distance) C4'-P energy: -98.015 bonds (distance) P-C4' energy: -90.987 flat angles C4'-P-C4' energy: -115.799 flat angles P-C4'-P energy: -78.683 tors. eta vs tors. theta energy: -99.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1103.733108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.733108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.733108 (E_RNA) where: Base-Base interactions energy: -661.350 where: short stacking energy: -338.990 Base-Backbone interact. energy: -1.642 local terms energy: -440.741111 where: bonds (distance) C4'-P energy: -90.926 bonds (distance) P-C4' energy: -117.619 flat angles C4'-P-C4' energy: -104.528 flat angles P-C4'-P energy: -59.827 tors. eta vs tors. theta energy: -67.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -731.288456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.288456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.288456 (E_RNA) where: Base-Base interactions energy: -366.400 where: short stacking energy: -218.693 Base-Backbone interact. energy: 6.999 local terms energy: -371.888327 where: bonds (distance) C4'-P energy: -102.754 bonds (distance) P-C4' energy: -108.207 flat angles C4'-P-C4' energy: -91.863 flat angles P-C4'-P energy: -52.176 tors. eta vs tors. theta energy: -16.888 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: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -649.804567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.804567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.804567 (E_RNA) where: Base-Base interactions energy: -339.869 where: short stacking energy: -184.852 Base-Backbone interact. energy: -1.738 local terms energy: -308.198019 where: bonds (distance) C4'-P energy: -83.860 bonds (distance) P-C4' energy: -92.701 flat angles C4'-P-C4' energy: -96.130 flat angles P-C4'-P energy: -35.805 tors. eta vs tors. theta energy: 0.298 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: 6 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -461.132572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.132572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.132572 (E_RNA) where: Base-Base interactions energy: -143.523 where: short stacking energy: -107.322 Base-Backbone interact. energy: -0.037 local terms energy: -317.572698 where: bonds (distance) C4'-P energy: -115.618 bonds (distance) P-C4' energy: -110.748 flat angles C4'-P-C4' energy: -71.970 flat angles P-C4'-P energy: -55.097 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: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1966.529277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.529277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.529277 (E_RNA) where: Base-Base interactions energy: -1347.996 where: short stacking energy: -578.691 Base-Backbone interact. energy: -1.663 local terms energy: -616.869331 where: bonds (distance) C4'-P energy: -105.189 bonds (distance) P-C4' energy: -124.531 flat angles C4'-P-C4' energy: -130.700 flat angles P-C4'-P energy: -85.125 tors. eta vs tors. theta energy: -171.325 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: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1817.374806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.374806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.374806 (E_RNA) where: Base-Base interactions energy: -1194.758 where: short stacking energy: -521.500 Base-Backbone interact. energy: -1.641 local terms energy: -620.976268 where: bonds (distance) C4'-P energy: -111.984 bonds (distance) P-C4' energy: -126.996 flat angles C4'-P-C4' energy: -131.215 flat angles P-C4'-P energy: -100.488 tors. eta vs tors. theta energy: -150.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1806.317676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.317676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.317676 (E_RNA) where: Base-Base interactions energy: -1209.621 where: short stacking energy: -518.256 Base-Backbone interact. energy: 0.380 local terms energy: -597.076341 where: bonds (distance) C4'-P energy: -114.810 bonds (distance) P-C4' energy: -119.963 flat angles C4'-P-C4' energy: -127.614 flat angles P-C4'-P energy: -88.607 tors. eta vs tors. theta energy: -146.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1607.487658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.487658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.487658 (E_RNA) where: Base-Base interactions energy: -1048.437 where: short stacking energy: -474.851 Base-Backbone interact. energy: 0.531 local terms energy: -559.581641 where: bonds (distance) C4'-P energy: -115.398 bonds (distance) P-C4' energy: -104.469 flat angles C4'-P-C4' energy: -125.340 flat angles P-C4'-P energy: -88.128 tors. eta vs tors. theta energy: -126.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1460.472488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.472488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.472488 (E_RNA) where: Base-Base interactions energy: -936.266 where: short stacking energy: -426.983 Base-Backbone interact. energy: -0.979 local terms energy: -523.227097 where: bonds (distance) C4'-P energy: -100.399 bonds (distance) P-C4' energy: -104.774 flat angles C4'-P-C4' energy: -112.805 flat angles P-C4'-P energy: -91.602 tors. eta vs tors. theta energy: -113.647 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: 4 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1275.400942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.400942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.400942 (E_RNA) where: Base-Base interactions energy: -799.442 where: short stacking energy: -348.731 Base-Backbone interact. energy: -0.828 local terms energy: -475.130831 where: bonds (distance) C4'-P energy: -111.690 bonds (distance) P-C4' energy: -108.274 flat angles C4'-P-C4' energy: -109.628 flat angles P-C4'-P energy: -62.062 tors. eta vs tors. theta energy: -83.478 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: 1 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1122.223933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.223933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.223933 (E_RNA) where: Base-Base interactions energy: -682.000 where: short stacking energy: -289.930 Base-Backbone interact. energy: -4.620 local terms energy: -435.603496 where: bonds (distance) C4'-P energy: -113.254 bonds (distance) P-C4' energy: -118.167 flat angles C4'-P-C4' energy: -88.513 flat angles P-C4'-P energy: -63.315 tors. eta vs tors. theta energy: -52.355 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: 8, replica: 8 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -714.335422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.335422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.335422 (E_RNA) where: Base-Base interactions energy: -330.518 where: short stacking energy: -180.598 Base-Backbone interact. energy: -1.239 local terms energy: -382.578321 where: bonds (distance) C4'-P energy: -109.453 bonds (distance) P-C4' energy: -112.346 flat angles C4'-P-C4' energy: -82.230 flat angles P-C4'-P energy: -68.762 tors. eta vs tors. theta energy: -9.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -654.053682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.053682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.053682 (E_RNA) where: Base-Base interactions energy: -307.470 where: short stacking energy: -162.897 Base-Backbone interact. energy: -0.553 local terms energy: -346.030207 where: bonds (distance) C4'-P energy: -106.902 bonds (distance) P-C4' energy: -104.957 flat angles C4'-P-C4' energy: -89.518 flat angles P-C4'-P energy: -56.947 tors. eta vs tors. theta energy: 12.294 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: 6 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -468.954200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.954200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.954200 (E_RNA) where: Base-Base interactions energy: -154.127 where: short stacking energy: -106.334 Base-Backbone interact. energy: 1.873 local terms energy: -316.700936 where: bonds (distance) C4'-P energy: -101.982 bonds (distance) P-C4' energy: -109.346 flat angles C4'-P-C4' energy: -80.710 flat angles P-C4'-P energy: -53.645 tors. eta vs tors. theta energy: 28.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1985.765949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.765949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.765949 (E_RNA) where: Base-Base interactions energy: -1366.112 where: short stacking energy: -574.211 Base-Backbone interact. energy: 4.469 local terms energy: -624.123105 where: bonds (distance) C4'-P energy: -120.998 bonds (distance) P-C4' energy: -112.560 flat angles C4'-P-C4' energy: -137.510 flat angles P-C4'-P energy: -80.615 tors. eta vs tors. theta energy: -172.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1847.554632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.554632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.554632 (E_RNA) where: Base-Base interactions energy: -1231.585 where: short stacking energy: -557.649 Base-Backbone interact. energy: -0.014 local terms energy: -615.956097 where: bonds (distance) C4'-P energy: -119.024 bonds (distance) P-C4' energy: -114.828 flat angles C4'-P-C4' energy: -141.025 flat angles P-C4'-P energy: -76.076 tors. eta vs tors. theta energy: -165.003 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: 3, replica: 3 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1806.222491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.222491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.222491 (E_RNA) where: Base-Base interactions energy: -1191.899 where: short stacking energy: -507.755 Base-Backbone interact. energy: 2.612 local terms energy: -616.935102 where: bonds (distance) C4'-P energy: -121.232 bonds (distance) P-C4' energy: -121.455 flat angles C4'-P-C4' energy: -131.370 flat angles P-C4'-P energy: -99.371 tors. eta vs tors. theta energy: -143.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1664.416982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.416982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.416982 (E_RNA) where: Base-Base interactions energy: -1107.555 where: short stacking energy: -468.987 Base-Backbone interact. energy: 0.284 local terms energy: -557.146192 where: bonds (distance) C4'-P energy: -107.424 bonds (distance) P-C4' energy: -121.798 flat angles C4'-P-C4' energy: -129.410 flat angles P-C4'-P energy: -64.992 tors. eta vs tors. theta energy: -133.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1458.471060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.471060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.471060 (E_RNA) where: Base-Base interactions energy: -960.091 where: short stacking energy: -413.054 Base-Backbone interact. energy: 0.246 local terms energy: -498.625997 where: bonds (distance) C4'-P energy: -100.520 bonds (distance) P-C4' energy: -103.010 flat angles C4'-P-C4' energy: -116.892 flat angles P-C4'-P energy: -78.167 tors. eta vs tors. theta energy: -100.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1192.034400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.034400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.034400 (E_RNA) where: Base-Base interactions energy: -757.812 where: short stacking energy: -343.038 Base-Backbone interact. energy: -3.391 local terms energy: -430.831169 where: bonds (distance) C4'-P energy: -99.872 bonds (distance) P-C4' energy: -107.780 flat angles C4'-P-C4' energy: -95.701 flat angles P-C4'-P energy: -62.101 tors. eta vs tors. theta energy: -65.377 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: 74 Temperature: 1.200000 Total energy: -1126.494438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.494438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.494438 (E_RNA) where: Base-Base interactions energy: -708.738 where: short stacking energy: -309.725 Base-Backbone interact. energy: 4.188 local terms energy: -421.944416 where: bonds (distance) C4'-P energy: -111.121 bonds (distance) P-C4' energy: -115.772 flat angles C4'-P-C4' energy: -78.218 flat angles P-C4'-P energy: -50.742 tors. eta vs tors. theta energy: -66.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -691.360090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.360090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.360090 (E_RNA) where: Base-Base interactions energy: -334.709 where: short stacking energy: -209.620 Base-Backbone interact. energy: 4.188 local terms energy: -360.838611 where: bonds (distance) C4'-P energy: -99.136 bonds (distance) P-C4' energy: -123.731 flat angles C4'-P-C4' energy: -76.896 flat angles P-C4'-P energy: -61.173 tors. eta vs tors. theta energy: 0.097 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: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -689.973796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.973796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.973796 (E_RNA) where: Base-Base interactions energy: -336.190 where: short stacking energy: -200.790 Base-Backbone interact. energy: 11.273 local terms energy: -365.056546 where: bonds (distance) C4'-P energy: -94.378 bonds (distance) P-C4' energy: -104.916 flat angles C4'-P-C4' energy: -71.307 flat angles P-C4'-P energy: -64.639 tors. eta vs tors. theta energy: -29.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -492.461972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.461972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.461972 (E_RNA) where: Base-Base interactions energy: -207.236 where: short stacking energy: -156.159 Base-Backbone interact. energy: -1.900 local terms energy: -283.325858 where: bonds (distance) C4'-P energy: -87.888 bonds (distance) P-C4' energy: -91.451 flat angles C4'-P-C4' energy: -81.313 flat angles P-C4'-P energy: -34.263 tors. eta vs tors. theta energy: 11.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1987.105352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.105352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.105352 (E_RNA) where: Base-Base interactions energy: -1362.548 where: short stacking energy: -562.857 Base-Backbone interact. energy: 2.170 local terms energy: -626.727145 where: bonds (distance) C4'-P energy: -114.547 bonds (distance) P-C4' energy: -130.107 flat angles C4'-P-C4' energy: -133.400 flat angles P-C4'-P energy: -88.726 tors. eta vs tors. theta energy: -159.948 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: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1851.152924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.152924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.152924 (E_RNA) where: Base-Base interactions energy: -1231.576 where: short stacking energy: -546.965 Base-Backbone interact. energy: -2.306 local terms energy: -617.270631 where: bonds (distance) C4'-P energy: -119.956 bonds (distance) P-C4' energy: -105.467 flat angles C4'-P-C4' energy: -131.545 flat angles P-C4'-P energy: -96.022 tors. eta vs tors. theta energy: -164.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1755.819883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.819883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.819883 (E_RNA) where: Base-Base interactions energy: -1164.545 where: short stacking energy: -513.037 Base-Backbone interact. energy: -5.008 local terms energy: -586.266602 where: bonds (distance) C4'-P energy: -119.674 bonds (distance) P-C4' energy: -117.751 flat angles C4'-P-C4' energy: -125.110 flat angles P-C4'-P energy: -75.469 tors. eta vs tors. theta energy: -148.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1702.909929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.909929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.909929 (E_RNA) where: Base-Base interactions energy: -1141.035 where: short stacking energy: -499.936 Base-Backbone interact. energy: -0.624 local terms energy: -561.251292 where: bonds (distance) C4'-P energy: -113.370 bonds (distance) P-C4' energy: -115.262 flat angles C4'-P-C4' energy: -119.718 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -142.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1440.827174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.827174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.827174 (E_RNA) where: Base-Base interactions energy: -941.248 where: short stacking energy: -409.941 Base-Backbone interact. energy: -1.009 local terms energy: -498.569594 where: bonds (distance) C4'-P energy: -105.717 bonds (distance) P-C4' energy: -104.432 flat angles C4'-P-C4' energy: -122.092 flat angles P-C4'-P energy: -62.590 tors. eta vs tors. theta energy: -103.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1215.845946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.845946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.845946 (E_RNA) where: Base-Base interactions energy: -752.129 where: short stacking energy: -339.045 Base-Backbone interact. energy: 0.716 local terms energy: -464.433220 where: bonds (distance) C4'-P energy: -94.066 bonds (distance) P-C4' energy: -120.398 flat angles C4'-P-C4' energy: -116.464 flat angles P-C4'-P energy: -64.625 tors. eta vs tors. theta energy: -68.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1114.669043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.669043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.669043 (E_RNA) where: Base-Base interactions energy: -701.885 where: short stacking energy: -362.021 Base-Backbone interact. energy: 0.839 local terms energy: -413.623423 where: bonds (distance) C4'-P energy: -103.871 bonds (distance) P-C4' energy: -98.762 flat angles C4'-P-C4' energy: -82.823 flat angles P-C4'-P energy: -59.695 tors. eta vs tors. theta energy: -68.472 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: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -770.649490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.649490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.649490 (E_RNA) where: Base-Base interactions energy: -377.777 where: short stacking energy: -215.381 Base-Backbone interact. energy: 1.798 local terms energy: -394.670478 where: bonds (distance) C4'-P energy: -116.503 bonds (distance) P-C4' energy: -119.171 flat angles C4'-P-C4' energy: -94.241 flat angles P-C4'-P energy: -50.234 tors. eta vs tors. theta energy: -14.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -633.546730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.546730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.546730 (E_RNA) where: Base-Base interactions energy: -304.163 where: short stacking energy: -189.339 Base-Backbone interact. energy: -1.392 local terms energy: -327.992111 where: bonds (distance) C4'-P energy: -82.035 bonds (distance) P-C4' energy: -117.635 flat angles C4'-P-C4' energy: -73.375 flat angles P-C4'-P energy: -58.304 tors. eta vs tors. theta energy: 3.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -464.547287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.547287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.547287 (E_RNA) where: Base-Base interactions energy: -163.578 where: short stacking energy: -115.448 Base-Backbone interact. energy: 0.861 local terms energy: -301.830143 where: bonds (distance) C4'-P energy: -105.557 bonds (distance) P-C4' energy: -105.978 flat angles C4'-P-C4' energy: -89.392 flat angles P-C4'-P energy: -33.317 tors. eta vs tors. theta energy: 32.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1999.400590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.400590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.400590 (E_RNA) where: Base-Base interactions energy: -1350.703 where: short stacking energy: -563.060 Base-Backbone interact. energy: -2.520 local terms energy: -646.177982 where: bonds (distance) C4'-P energy: -132.102 bonds (distance) P-C4' energy: -126.167 flat angles C4'-P-C4' energy: -134.948 flat angles P-C4'-P energy: -91.657 tors. eta vs tors. theta energy: -161.304 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: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1843.160383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.160383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.160383 (E_RNA) where: Base-Base interactions energy: -1263.459 where: short stacking energy: -543.996 Base-Backbone interact. energy: -3.155 local terms energy: -576.546297 where: bonds (distance) C4'-P energy: -106.251 bonds (distance) P-C4' energy: -108.789 flat angles C4'-P-C4' energy: -121.952 flat angles P-C4'-P energy: -86.374 tors. eta vs tors. theta energy: -153.180 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: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1798.598860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.598860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.598860 (E_RNA) where: Base-Base interactions energy: -1220.608 where: short stacking energy: -522.161 Base-Backbone interact. energy: -1.212 local terms energy: -576.779058 where: bonds (distance) C4'-P energy: -104.492 bonds (distance) P-C4' energy: -106.433 flat angles C4'-P-C4' energy: -123.364 flat angles P-C4'-P energy: -91.597 tors. eta vs tors. theta energy: -150.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1729.344393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.344393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.344393 (E_RNA) where: Base-Base interactions energy: -1154.273 where: short stacking energy: -505.046 Base-Backbone interact. energy: -0.016 local terms energy: -575.055344 where: bonds (distance) C4'-P energy: -121.410 bonds (distance) P-C4' energy: -100.225 flat angles C4'-P-C4' energy: -117.356 flat angles P-C4'-P energy: -100.515 tors. eta vs tors. theta energy: -135.549 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: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1389.476748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.476748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.476748 (E_RNA) where: Base-Base interactions energy: -906.239 where: short stacking energy: -381.951 Base-Backbone interact. energy: -3.031 local terms energy: -480.206790 where: bonds (distance) C4'-P energy: -98.169 bonds (distance) P-C4' energy: -114.853 flat angles C4'-P-C4' energy: -107.247 flat angles P-C4'-P energy: -64.665 tors. eta vs tors. theta energy: -95.274 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: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1176.332552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.332552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.332552 (E_RNA) where: Base-Base interactions energy: -737.927 where: short stacking energy: -346.379 Base-Backbone interact. energy: 0.834 local terms energy: -439.240088 where: bonds (distance) C4'-P energy: -105.297 bonds (distance) P-C4' energy: -102.731 flat angles C4'-P-C4' energy: -91.162 flat angles P-C4'-P energy: -65.138 tors. eta vs tors. theta energy: -74.913 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: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1176.202275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.202275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.202275 (E_RNA) where: Base-Base interactions energy: -764.431 where: short stacking energy: -333.449 Base-Backbone interact. energy: -2.171 local terms energy: -409.600561 where: bonds (distance) C4'-P energy: -80.001 bonds (distance) P-C4' energy: -109.657 flat angles C4'-P-C4' energy: -93.270 flat angles P-C4'-P energy: -60.126 tors. eta vs tors. theta energy: -66.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -741.656711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.656711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.656711 (E_RNA) where: Base-Base interactions energy: -366.120 where: short stacking energy: -218.844 Base-Backbone interact. energy: 2.688 local terms energy: -378.225161 where: bonds (distance) C4'-P energy: -92.096 bonds (distance) P-C4' energy: -121.115 flat angles C4'-P-C4' energy: -96.356 flat angles P-C4'-P energy: -66.408 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -625.131678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.131678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.131678 (E_RNA) where: Base-Base interactions energy: -283.129 where: short stacking energy: -150.091 Base-Backbone interact. energy: -0.612 local terms energy: -341.390342 where: bonds (distance) C4'-P energy: -103.777 bonds (distance) P-C4' energy: -109.267 flat angles C4'-P-C4' energy: -102.240 flat angles P-C4'-P energy: -34.165 tors. eta vs tors. theta energy: 8.059 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: 10, replica: 6 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -478.756612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.756612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.756612 (E_RNA) where: Base-Base interactions energy: -197.794 where: short stacking energy: -140.544 Base-Backbone interact. energy: 7.615 local terms energy: -288.577552 where: bonds (distance) C4'-P energy: -75.941 bonds (distance) P-C4' energy: -95.529 flat angles C4'-P-C4' energy: -78.513 flat angles P-C4'-P energy: -44.906 tors. eta vs tors. theta energy: 6.311 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: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1987.101577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.101577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.101577 (E_RNA) where: Base-Base interactions energy: -1372.901 where: short stacking energy: -567.256 Base-Backbone interact. energy: 1.141 local terms energy: -615.342205 where: bonds (distance) C4'-P energy: -103.097 bonds (distance) P-C4' energy: -133.486 flat angles C4'-P-C4' energy: -126.889 flat angles P-C4'-P energy: -81.857 tors. eta vs tors. theta energy: -170.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1887.612215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.612215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.612215 (E_RNA) where: Base-Base interactions energy: -1250.564 where: short stacking energy: -536.059 Base-Backbone interact. energy: -4.560 local terms energy: -632.487938 where: bonds (distance) C4'-P energy: -122.602 bonds (distance) P-C4' energy: -130.948 flat angles C4'-P-C4' energy: -136.535 flat angles P-C4'-P energy: -85.047 tors. eta vs tors. theta energy: -157.356 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: 5 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1759.609890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.609890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.609890 (E_RNA) where: Base-Base interactions energy: -1150.202 where: short stacking energy: -511.427 Base-Backbone interact. energy: -1.483 local terms energy: -607.924702 where: bonds (distance) C4'-P energy: -132.646 bonds (distance) P-C4' energy: -116.306 flat angles C4'-P-C4' energy: -121.097 flat angles P-C4'-P energy: -88.731 tors. eta vs tors. theta energy: -149.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1759.318302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.318302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.318302 (E_RNA) where: Base-Base interactions energy: -1177.297 where: short stacking energy: -508.086 Base-Backbone interact. energy: -0.942 local terms energy: -581.079752 where: bonds (distance) C4'-P energy: -105.857 bonds (distance) P-C4' energy: -120.276 flat angles C4'-P-C4' energy: -125.079 flat angles P-C4'-P energy: -83.456 tors. eta vs tors. theta energy: -146.412 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: 77 Temperature: 1.100000 Total energy: -1391.147535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.147535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.147535 (E_RNA) where: Base-Base interactions energy: -881.687 where: short stacking energy: -392.466 Base-Backbone interact. energy: 0.243 local terms energy: -509.704250 where: bonds (distance) C4'-P energy: -92.651 bonds (distance) P-C4' energy: -108.047 flat angles C4'-P-C4' energy: -126.805 flat angles P-C4'-P energy: -88.251 tors. eta vs tors. theta energy: -93.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1258.799361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.799361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.799361 (E_RNA) where: Base-Base interactions energy: -788.801 where: short stacking energy: -364.537 Base-Backbone interact. energy: 2.371 local terms energy: -472.369444 where: bonds (distance) C4'-P energy: -96.191 bonds (distance) P-C4' energy: -113.732 flat angles C4'-P-C4' energy: -101.395 flat angles P-C4'-P energy: -77.457 tors. eta vs tors. theta energy: -83.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1115.808173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.808173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.808173 (E_RNA) where: Base-Base interactions energy: -682.675 where: short stacking energy: -316.590 Base-Backbone interact. energy: -0.900 local terms energy: -432.233480 where: bonds (distance) C4'-P energy: -102.795 bonds (distance) P-C4' energy: -116.296 flat angles C4'-P-C4' energy: -90.031 flat angles P-C4'-P energy: -72.401 tors. eta vs tors. theta energy: -50.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -746.898256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.898256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.898256 (E_RNA) where: Base-Base interactions energy: -380.649 where: short stacking energy: -199.964 Base-Backbone interact. energy: -1.702 local terms energy: -364.547298 where: bonds (distance) C4'-P energy: -102.635 bonds (distance) P-C4' energy: -114.342 flat angles C4'-P-C4' energy: -91.726 flat angles P-C4'-P energy: -39.515 tors. eta vs tors. theta energy: -16.329 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: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -629.874436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.874436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.874436 (E_RNA) where: Base-Base interactions energy: -307.876 where: short stacking energy: -151.493 Base-Backbone interact. energy: 0.107 local terms energy: -322.105448 where: bonds (distance) C4'-P energy: -97.607 bonds (distance) P-C4' energy: -111.116 flat angles C4'-P-C4' energy: -79.856 flat angles P-C4'-P energy: -60.085 tors. eta vs tors. theta energy: 26.559 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: 10, replica: 6 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -495.522263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.522263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.522263 (E_RNA) where: Base-Base interactions energy: -190.721 where: short stacking energy: -130.782 Base-Backbone interact. energy: 2.858 local terms energy: -307.659382 where: bonds (distance) C4'-P energy: -94.991 bonds (distance) P-C4' energy: -106.297 flat angles C4'-P-C4' energy: -87.278 flat angles P-C4'-P energy: -40.585 tors. eta vs tors. theta energy: 21.492 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: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1986.097071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.097071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.097071 (E_RNA) where: Base-Base interactions energy: -1347.254 where: short stacking energy: -562.002 Base-Backbone interact. energy: -2.598 local terms energy: -636.245248 where: bonds (distance) C4'-P energy: -117.175 bonds (distance) P-C4' energy: -120.908 flat angles C4'-P-C4' energy: -143.772 flat angles P-C4'-P energy: -89.202 tors. eta vs tors. theta energy: -165.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1877.836468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.836468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.836468 (E_RNA) where: Base-Base interactions energy: -1237.733 where: short stacking energy: -555.220 Base-Backbone interact. energy: -1.165 local terms energy: -638.937572 where: bonds (distance) C4'-P energy: -117.988 bonds (distance) P-C4' energy: -127.650 flat angles C4'-P-C4' energy: -136.949 flat angles P-C4'-P energy: -94.904 tors. eta vs tors. theta energy: -161.446 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: 7 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1838.062499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.062499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.062499 (E_RNA) where: Base-Base interactions energy: -1233.718 where: short stacking energy: -515.180 Base-Backbone interact. energy: -4.422 local terms energy: -599.922547 where: bonds (distance) C4'-P energy: -120.103 bonds (distance) P-C4' energy: -120.436 flat angles C4'-P-C4' energy: -130.595 flat angles P-C4'-P energy: -86.716 tors. eta vs tors. theta energy: -142.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1698.764723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.764723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.764723 (E_RNA) where: Base-Base interactions energy: -1140.864 where: short stacking energy: -474.769 Base-Backbone interact. energy: 1.314 local terms energy: -559.214007 where: bonds (distance) C4'-P energy: -99.727 bonds (distance) P-C4' energy: -123.890 flat angles C4'-P-C4' energy: -127.312 flat angles P-C4'-P energy: -68.926 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: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1430.996970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.996970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.996970 (E_RNA) where: Base-Base interactions energy: -939.053 where: short stacking energy: -381.076 Base-Backbone interact. energy: -2.296 local terms energy: -489.647869 where: bonds (distance) C4'-P energy: -99.475 bonds (distance) P-C4' energy: -82.875 flat angles C4'-P-C4' energy: -120.225 flat angles P-C4'-P energy: -78.532 tors. eta vs tors. theta energy: -108.541 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: 1 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1272.279469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.279469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.279469 (E_RNA) where: Base-Base interactions energy: -761.381 where: short stacking energy: -346.334 Base-Backbone interact. energy: -1.693 local terms energy: -509.205665 where: bonds (distance) C4'-P energy: -114.320 bonds (distance) P-C4' energy: -109.125 flat angles C4'-P-C4' energy: -123.928 flat angles P-C4'-P energy: -80.287 tors. eta vs tors. theta energy: -81.546 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: 4 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1163.490973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.490973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.490973 (E_RNA) where: Base-Base interactions energy: -696.011 where: short stacking energy: -339.468 Base-Backbone interact. energy: 0.993 local terms energy: -468.472513 where: bonds (distance) C4'-P energy: -103.857 bonds (distance) P-C4' energy: -120.623 flat angles C4'-P-C4' energy: -108.571 flat angles P-C4'-P energy: -70.650 tors. eta vs tors. theta energy: -64.771 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: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -734.084309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.084309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.084309 (E_RNA) where: Base-Base interactions energy: -369.095 where: short stacking energy: -214.944 Base-Backbone interact. energy: -2.271 local terms energy: -362.718419 where: bonds (distance) C4'-P energy: -104.784 bonds (distance) P-C4' energy: -122.097 flat angles C4'-P-C4' energy: -95.666 flat angles P-C4'-P energy: -34.920 tors. eta vs tors. theta energy: -5.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -610.786454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.786454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.786454 (E_RNA) where: Base-Base interactions energy: -292.345 where: short stacking energy: -169.135 Base-Backbone interact. energy: 7.195 local terms energy: -325.637089 where: bonds (distance) C4'-P energy: -103.727 bonds (distance) P-C4' energy: -96.651 flat angles C4'-P-C4' energy: -87.523 flat angles P-C4'-P energy: -49.404 tors. eta vs tors. theta energy: 11.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -498.443480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.443480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.443480 (E_RNA) where: Base-Base interactions energy: -195.732 where: short stacking energy: -136.636 Base-Backbone interact. energy: 2.430 local terms energy: -305.141936 where: bonds (distance) C4'-P energy: -96.231 bonds (distance) P-C4' energy: -104.759 flat angles C4'-P-C4' energy: -93.971 flat angles P-C4'-P energy: -39.743 tors. eta vs tors. theta energy: 29.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1984.110360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.110360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.110360 (E_RNA) where: Base-Base interactions energy: -1353.027 where: short stacking energy: -565.645 Base-Backbone interact. energy: 3.802 local terms energy: -634.884990 where: bonds (distance) C4'-P energy: -105.691 bonds (distance) P-C4' energy: -125.842 flat angles C4'-P-C4' energy: -137.987 flat angles P-C4'-P energy: -99.917 tors. eta vs tors. theta energy: -165.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1862.379059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.379059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.379059 (E_RNA) where: Base-Base interactions energy: -1211.628 where: short stacking energy: -533.067 Base-Backbone interact. energy: -0.993 local terms energy: -649.757762 where: bonds (distance) C4'-P energy: -123.415 bonds (distance) P-C4' energy: -120.251 flat angles C4'-P-C4' energy: -148.227 flat angles P-C4'-P energy: -91.240 tors. eta vs tors. theta energy: -166.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1781.477612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.477612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.477612 (E_RNA) where: Base-Base interactions energy: -1181.730 where: short stacking energy: -474.618 Base-Backbone interact. energy: -2.913 local terms energy: -596.834549 where: bonds (distance) C4'-P energy: -121.041 bonds (distance) P-C4' energy: -129.370 flat angles C4'-P-C4' energy: -115.511 flat angles P-C4'-P energy: -82.282 tors. eta vs tors. theta energy: -148.631 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: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1649.135045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.135045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.135045 (E_RNA) where: Base-Base interactions energy: -1074.394 where: short stacking energy: -480.213 Base-Backbone interact. energy: -0.955 local terms energy: -573.786860 where: bonds (distance) C4'-P energy: -109.240 bonds (distance) P-C4' energy: -108.579 flat angles C4'-P-C4' energy: -129.722 flat angles P-C4'-P energy: -87.956 tors. eta vs tors. theta energy: -138.289 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: 5, replica: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1397.714382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.714382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.714382 (E_RNA) where: Base-Base interactions energy: -877.391 where: short stacking energy: -414.877 Base-Backbone interact. energy: 3.181 local terms energy: -523.504180 where: bonds (distance) C4'-P energy: -114.001 bonds (distance) P-C4' energy: -108.950 flat angles C4'-P-C4' energy: -113.830 flat angles P-C4'-P energy: -77.078 tors. eta vs tors. theta energy: -109.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1363.997060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.997060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.997060 (E_RNA) where: Base-Base interactions energy: -865.351 where: short stacking energy: -364.050 Base-Backbone interact. energy: 1.803 local terms energy: -500.449652 where: bonds (distance) C4'-P energy: -122.611 bonds (distance) P-C4' energy: -102.330 flat angles C4'-P-C4' energy: -99.002 flat angles P-C4'-P energy: -87.508 tors. eta vs tors. theta energy: -88.998 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: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1090.017616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.017616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.017616 (E_RNA) where: Base-Base interactions energy: -637.285 where: short stacking energy: -308.694 Base-Backbone interact. energy: -4.849 local terms energy: -447.883539 where: bonds (distance) C4'-P energy: -101.248 bonds (distance) P-C4' energy: -106.896 flat angles C4'-P-C4' energy: -108.555 flat angles P-C4'-P energy: -61.402 tors. eta vs tors. theta energy: -69.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -662.445068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.445068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.445068 (E_RNA) where: Base-Base interactions energy: -320.594 where: short stacking energy: -214.985 Base-Backbone interact. energy: 1.977 local terms energy: -343.827522 where: bonds (distance) C4'-P energy: -83.390 bonds (distance) P-C4' energy: -108.769 flat angles C4'-P-C4' energy: -87.337 flat angles P-C4'-P energy: -59.442 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -642.076271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.076271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.076271 (E_RNA) where: Base-Base interactions energy: -280.894 where: short stacking energy: -170.667 Base-Backbone interact. energy: 0.985 local terms energy: -362.166735 where: bonds (distance) C4'-P energy: -99.769 bonds (distance) P-C4' energy: -99.507 flat angles C4'-P-C4' energy: -101.498 flat angles P-C4'-P energy: -62.238 tors. eta vs tors. theta energy: 0.846 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: 10, replica: 6 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -471.355281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.355281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.355281 (E_RNA) where: Base-Base interactions energy: -185.550 where: short stacking energy: -130.522 Base-Backbone interact. energy: 9.876 local terms energy: -295.681015 where: bonds (distance) C4'-P energy: -80.864 bonds (distance) P-C4' energy: -100.497 flat angles C4'-P-C4' energy: -91.384 flat angles P-C4'-P energy: -38.377 tors. eta vs tors. theta energy: 15.441 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: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1995.393205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.393205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.393205 (E_RNA) where: Base-Base interactions energy: -1343.333 where: short stacking energy: -570.045 Base-Backbone interact. energy: -1.013 local terms energy: -651.047621 where: bonds (distance) C4'-P energy: -127.915 bonds (distance) P-C4' energy: -118.976 flat angles C4'-P-C4' energy: -130.055 flat angles P-C4'-P energy: -111.297 tors. eta vs tors. theta energy: -162.805 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: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1868.371962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.371962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.371962 (E_RNA) where: Base-Base interactions energy: -1221.979 where: short stacking energy: -510.893 Base-Backbone interact. energy: -0.673 local terms energy: -645.720309 where: bonds (distance) C4'-P energy: -132.426 bonds (distance) P-C4' energy: -119.814 flat angles C4'-P-C4' energy: -135.839 flat angles P-C4'-P energy: -103.223 tors. eta vs tors. theta energy: -154.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1801.468517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.468517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.468517 (E_RNA) where: Base-Base interactions energy: -1199.887 where: short stacking energy: -527.434 Base-Backbone interact. energy: -4.398 local terms energy: -597.183396 where: bonds (distance) C4'-P energy: -102.441 bonds (distance) P-C4' energy: -107.305 flat angles C4'-P-C4' energy: -140.325 flat angles P-C4'-P energy: -89.285 tors. eta vs tors. theta energy: -157.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1679.025173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.025173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.025173 (E_RNA) where: Base-Base interactions energy: -1117.584 where: short stacking energy: -473.146 Base-Backbone interact. energy: 1.978 local terms energy: -563.418766 where: bonds (distance) C4'-P energy: -108.691 bonds (distance) P-C4' energy: -120.456 flat angles C4'-P-C4' energy: -130.149 flat angles P-C4'-P energy: -78.094 tors. eta vs tors. theta energy: -126.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1434.080396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.080396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.080396 (E_RNA) where: Base-Base interactions energy: -913.452 where: short stacking energy: -429.555 Base-Backbone interact. energy: -3.108 local terms energy: -517.520662 where: bonds (distance) C4'-P energy: -109.743 bonds (distance) P-C4' energy: -108.991 flat angles C4'-P-C4' energy: -111.281 flat angles P-C4'-P energy: -78.598 tors. eta vs tors. theta energy: -108.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1339.109359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.109359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.109359 (E_RNA) where: Base-Base interactions energy: -867.977 where: short stacking energy: -366.267 Base-Backbone interact. energy: 2.464 local terms energy: -473.597107 where: bonds (distance) C4'-P energy: -104.702 bonds (distance) P-C4' energy: -110.779 flat angles C4'-P-C4' energy: -121.711 flat angles P-C4'-P energy: -57.376 tors. eta vs tors. theta energy: -79.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1065.436835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.436835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.436835 (E_RNA) where: Base-Base interactions energy: -600.515 where: short stacking energy: -284.417 Base-Backbone interact. energy: 2.044 local terms energy: -466.965639 where: bonds (distance) C4'-P energy: -98.594 bonds (distance) P-C4' energy: -116.276 flat angles C4'-P-C4' energy: -122.948 flat angles P-C4'-P energy: -62.719 tors. eta vs tors. theta energy: -66.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -674.457322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.457322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.457322 (E_RNA) where: Base-Base interactions energy: -309.322 where: short stacking energy: -186.810 Base-Backbone interact. energy: 1.986 local terms energy: -367.122175 where: bonds (distance) C4'-P energy: -105.592 bonds (distance) P-C4' energy: -111.228 flat angles C4'-P-C4' energy: -96.663 flat angles P-C4'-P energy: -58.610 tors. eta vs tors. theta energy: 4.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -605.099595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.099595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.099595 (E_RNA) where: Base-Base interactions energy: -264.212 where: short stacking energy: -166.917 Base-Backbone interact. energy: 0.384 local terms energy: -341.271108 where: bonds (distance) C4'-P energy: -85.939 bonds (distance) P-C4' energy: -116.258 flat angles C4'-P-C4' energy: -95.158 flat angles P-C4'-P energy: -52.339 tors. eta vs tors. theta energy: 8.423 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: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -495.846618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.846618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.846618 (E_RNA) where: Base-Base interactions energy: -191.134 where: short stacking energy: -140.263 Base-Backbone interact. energy: 2.348 local terms energy: -307.060862 where: bonds (distance) C4'-P energy: -91.444 bonds (distance) P-C4' energy: -93.365 flat angles C4'-P-C4' energy: -87.538 flat angles P-C4'-P energy: -42.789 tors. eta vs tors. theta energy: 8.075 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: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2011.602086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.602086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.602086 (E_RNA) where: Base-Base interactions energy: -1373.310 where: short stacking energy: -537.751 Base-Backbone interact. energy: -6.836 local terms energy: -631.455404 where: bonds (distance) C4'-P energy: -109.643 bonds (distance) P-C4' energy: -132.797 flat angles C4'-P-C4' energy: -141.438 flat angles P-C4'-P energy: -88.047 tors. eta vs tors. theta energy: -159.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1886.684979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.684979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.684979 (E_RNA) where: Base-Base interactions energy: -1266.275 where: short stacking energy: -530.833 Base-Backbone interact. energy: -2.597 local terms energy: -617.812475 where: bonds (distance) C4'-P energy: -123.696 bonds (distance) P-C4' energy: -112.749 flat angles C4'-P-C4' energy: -134.638 flat angles P-C4'-P energy: -80.796 tors. eta vs tors. theta energy: -165.934 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: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1824.385119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.385119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.385119 (E_RNA) where: Base-Base interactions energy: -1219.844 where: short stacking energy: -530.436 Base-Backbone interact. energy: -0.505 local terms energy: -604.036373 where: bonds (distance) C4'-P energy: -118.955 bonds (distance) P-C4' energy: -111.642 flat angles C4'-P-C4' energy: -137.930 flat angles P-C4'-P energy: -78.043 tors. eta vs tors. theta energy: -157.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1705.869806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.869806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.869806 (E_RNA) where: Base-Base interactions energy: -1133.759 where: short stacking energy: -457.603 Base-Backbone interact. energy: 0.639 local terms energy: -572.750550 where: bonds (distance) C4'-P energy: -107.021 bonds (distance) P-C4' energy: -119.925 flat angles C4'-P-C4' energy: -138.065 flat angles P-C4'-P energy: -77.558 tors. eta vs tors. theta energy: -130.181 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: 81 Temperature: 1.100000 Total energy: -1445.505929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.505929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.505929 (E_RNA) where: Base-Base interactions energy: -908.485 where: short stacking energy: -396.210 Base-Backbone interact. energy: -0.944 local terms energy: -536.076724 where: bonds (distance) C4'-P energy: -99.559 bonds (distance) P-C4' energy: -114.944 flat angles C4'-P-C4' energy: -130.362 flat angles P-C4'-P energy: -81.688 tors. eta vs tors. theta energy: -109.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1366.673740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.673740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.673740 (E_RNA) where: Base-Base interactions energy: -876.886 where: short stacking energy: -362.759 Base-Backbone interact. energy: -4.244 local terms energy: -485.543842 where: bonds (distance) C4'-P energy: -102.101 bonds (distance) P-C4' energy: -103.071 flat angles C4'-P-C4' energy: -108.157 flat angles P-C4'-P energy: -87.051 tors. eta vs tors. theta energy: -85.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1073.982386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.982386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.982386 (E_RNA) where: Base-Base interactions energy: -622.531 where: short stacking energy: -294.649 Base-Backbone interact. energy: 5.262 local terms energy: -456.713103 where: bonds (distance) C4'-P energy: -113.159 bonds (distance) P-C4' energy: -96.079 flat angles C4'-P-C4' energy: -118.937 flat angles P-C4'-P energy: -68.758 tors. eta vs tors. theta energy: -59.779 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: 8, replica: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -666.671927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.671927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.671927 (E_RNA) where: Base-Base interactions energy: -289.119 where: short stacking energy: -189.762 Base-Backbone interact. energy: 1.009 local terms energy: -378.561809 where: bonds (distance) C4'-P energy: -104.511 bonds (distance) P-C4' energy: -93.772 flat angles C4'-P-C4' energy: -98.585 flat angles P-C4'-P energy: -56.850 tors. eta vs tors. theta energy: -24.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -602.942673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.942673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.942673 (E_RNA) where: Base-Base interactions energy: -264.796 where: short stacking energy: -176.611 Base-Backbone interact. energy: -0.747 local terms energy: -337.399906 where: bonds (distance) C4'-P energy: -100.634 bonds (distance) P-C4' energy: -109.583 flat angles C4'-P-C4' energy: -56.980 flat angles P-C4'-P energy: -60.554 tors. eta vs tors. theta energy: -9.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -461.026042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.026042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.026042 (E_RNA) where: Base-Base interactions energy: -146.131 where: short stacking energy: -119.348 Base-Backbone interact. energy: 1.384 local terms energy: -316.279372 where: bonds (distance) C4'-P energy: -88.385 bonds (distance) P-C4' energy: -101.458 flat angles C4'-P-C4' energy: -90.548 flat angles P-C4'-P energy: -60.651 tors. eta vs tors. theta energy: 24.761 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: 10 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1991.950602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.950602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.950602 (E_RNA) where: Base-Base interactions energy: -1341.121 where: short stacking energy: -568.755 Base-Backbone interact. energy: -0.235 local terms energy: -650.594286 where: bonds (distance) C4'-P energy: -121.939 bonds (distance) P-C4' energy: -122.014 flat angles C4'-P-C4' energy: -138.501 flat angles P-C4'-P energy: -100.117 tors. eta vs tors. theta energy: -168.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1870.630709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.630709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.630709 (E_RNA) where: Base-Base interactions energy: -1253.751 where: short stacking energy: -522.135 Base-Backbone interact. energy: -1.013 local terms energy: -615.866472 where: bonds (distance) C4'-P energy: -112.002 bonds (distance) P-C4' energy: -123.159 flat angles C4'-P-C4' energy: -134.359 flat angles P-C4'-P energy: -88.479 tors. eta vs tors. theta energy: -157.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1830.266680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.266680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.266680 (E_RNA) where: Base-Base interactions energy: -1231.681 where: short stacking energy: -563.828 Base-Backbone interact. energy: 1.387 local terms energy: -599.973386 where: bonds (distance) C4'-P energy: -111.951 bonds (distance) P-C4' energy: -106.197 flat angles C4'-P-C4' energy: -127.045 flat angles P-C4'-P energy: -82.146 tors. eta vs tors. theta energy: -172.634 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: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1668.787454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.787454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.787454 (E_RNA) where: Base-Base interactions energy: -1086.897 where: short stacking energy: -461.222 Base-Backbone interact. energy: -0.378 local terms energy: -581.512484 where: bonds (distance) C4'-P energy: -117.709 bonds (distance) P-C4' energy: -115.378 flat angles C4'-P-C4' energy: -128.855 flat angles P-C4'-P energy: -87.220 tors. eta vs tors. theta energy: -132.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1407.251650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.251650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.251650 (E_RNA) where: Base-Base interactions energy: -884.726 where: short stacking energy: -426.829 Base-Backbone interact. energy: 4.827 local terms energy: -527.352856 where: bonds (distance) C4'-P energy: -93.330 bonds (distance) P-C4' energy: -121.649 flat angles C4'-P-C4' energy: -127.858 flat angles P-C4'-P energy: -74.338 tors. eta vs tors. theta energy: -110.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1327.308262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.308262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.308262 (E_RNA) where: Base-Base interactions energy: -841.458 where: short stacking energy: -384.759 Base-Backbone interact. energy: -0.679 local terms energy: -485.171083 where: bonds (distance) C4'-P energy: -96.940 bonds (distance) P-C4' energy: -116.485 flat angles C4'-P-C4' energy: -106.039 flat angles P-C4'-P energy: -71.654 tors. eta vs tors. theta energy: -94.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -972.346831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.346831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.346831 (E_RNA) where: Base-Base interactions energy: -563.686 where: short stacking energy: -271.326 Base-Backbone interact. energy: -0.476 local terms energy: -408.184243 where: bonds (distance) C4'-P energy: -97.691 bonds (distance) P-C4' energy: -111.095 flat angles C4'-P-C4' energy: -98.331 flat angles P-C4'-P energy: -57.219 tors. eta vs tors. theta energy: -43.849 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: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -657.550455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.550455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.550455 (E_RNA) where: Base-Base interactions energy: -276.617 where: short stacking energy: -187.583 Base-Backbone interact. energy: 2.378 local terms energy: -383.311649 where: bonds (distance) C4'-P energy: -94.564 bonds (distance) P-C4' energy: -113.950 flat angles C4'-P-C4' energy: -104.238 flat angles P-C4'-P energy: -53.992 tors. eta vs tors. theta energy: -16.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -604.727141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.727141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.727141 (E_RNA) where: Base-Base interactions energy: -269.126 where: short stacking energy: -164.329 Base-Backbone interact. energy: 3.107 local terms energy: -338.707851 where: bonds (distance) C4'-P energy: -98.301 bonds (distance) P-C4' energy: -107.105 flat angles C4'-P-C4' energy: -86.326 flat angles P-C4'-P energy: -46.857 tors. eta vs tors. theta energy: -0.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -476.324116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.324116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.324116 (E_RNA) where: Base-Base interactions energy: -124.144 where: short stacking energy: -96.404 Base-Backbone interact. energy: 0.627 local terms energy: -352.807564 where: bonds (distance) C4'-P energy: -120.677 bonds (distance) P-C4' energy: -127.710 flat angles C4'-P-C4' energy: -76.638 flat angles P-C4'-P energy: -51.442 tors. eta vs tors. theta energy: 23.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2001.003105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.003105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.003105 (E_RNA) where: Base-Base interactions energy: -1356.628 where: short stacking energy: -543.485 Base-Backbone interact. energy: -0.814 local terms energy: -643.561536 where: bonds (distance) C4'-P energy: -124.622 bonds (distance) P-C4' energy: -119.382 flat angles C4'-P-C4' energy: -132.061 flat angles P-C4'-P energy: -92.769 tors. eta vs tors. theta energy: -174.728 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: 83 Temperature: 0.950000 Total energy: -1843.679295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.679295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.679295 (E_RNA) where: Base-Base interactions energy: -1237.655 where: short stacking energy: -532.861 Base-Backbone interact. energy: -0.060 local terms energy: -605.964128 where: bonds (distance) C4'-P energy: -112.992 bonds (distance) P-C4' energy: -106.303 flat angles C4'-P-C4' energy: -134.176 flat angles P-C4'-P energy: -87.728 tors. eta vs tors. theta energy: -164.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1832.885932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.885932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.885932 (E_RNA) where: Base-Base interactions energy: -1231.103 where: short stacking energy: -509.805 Base-Backbone interact. energy: 1.249 local terms energy: -603.031484 where: bonds (distance) C4'-P energy: -115.364 bonds (distance) P-C4' energy: -119.494 flat angles C4'-P-C4' energy: -126.364 flat angles P-C4'-P energy: -84.919 tors. eta vs tors. theta energy: -156.891 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: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1633.168722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.168722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.168722 (E_RNA) where: Base-Base interactions energy: -1060.829 where: short stacking energy: -478.856 Base-Backbone interact. energy: -3.243 local terms energy: -569.096725 where: bonds (distance) C4'-P energy: -116.108 bonds (distance) P-C4' energy: -105.904 flat angles C4'-P-C4' energy: -138.707 flat angles P-C4'-P energy: -81.204 tors. eta vs tors. theta energy: -127.173 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: 83 Temperature: 1.100000 Total energy: -1434.209154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.209154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.209154 (E_RNA) where: Base-Base interactions energy: -910.465 where: short stacking energy: -388.889 Base-Backbone interact. energy: -0.213 local terms energy: -523.531015 where: bonds (distance) C4'-P energy: -111.212 bonds (distance) P-C4' energy: -113.937 flat angles C4'-P-C4' energy: -115.666 flat angles P-C4'-P energy: -79.240 tors. eta vs tors. theta energy: -103.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1392.868551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.868551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.868551 (E_RNA) where: Base-Base interactions energy: -902.131 where: short stacking energy: -411.474 Base-Backbone interact. energy: -0.238 local terms energy: -490.499670 where: bonds (distance) C4'-P energy: -93.493 bonds (distance) P-C4' energy: -108.669 flat angles C4'-P-C4' energy: -111.871 flat angles P-C4'-P energy: -71.844 tors. eta vs tors. theta energy: -104.623 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: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -923.262816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.262816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.262816 (E_RNA) where: Base-Base interactions energy: -519.028 where: short stacking energy: -257.328 Base-Backbone interact. energy: 0.616 local terms energy: -404.850719 where: bonds (distance) C4'-P energy: -94.423 bonds (distance) P-C4' energy: -112.143 flat angles C4'-P-C4' energy: -106.919 flat angles P-C4'-P energy: -53.421 tors. eta vs tors. theta energy: -37.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -643.336355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.336355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.336355 (E_RNA) where: Base-Base interactions energy: -275.367 where: short stacking energy: -171.927 Base-Backbone interact. energy: -3.053 local terms energy: -364.916610 where: bonds (distance) C4'-P energy: -84.111 bonds (distance) P-C4' energy: -122.638 flat angles C4'-P-C4' energy: -100.196 flat angles P-C4'-P energy: -66.094 tors. eta vs tors. theta energy: 8.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -612.254855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.254855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.254855 (E_RNA) where: Base-Base interactions energy: -255.643 where: short stacking energy: -159.730 Base-Backbone interact. energy: 4.012 local terms energy: -360.623756 where: bonds (distance) C4'-P energy: -112.519 bonds (distance) P-C4' energy: -99.674 flat angles C4'-P-C4' energy: -101.559 flat angles P-C4'-P energy: -53.718 tors. eta vs tors. theta energy: 6.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -479.692569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.692569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.692569 (E_RNA) where: Base-Base interactions energy: -151.834 where: short stacking energy: -115.873 Base-Backbone interact. energy: 1.414 local terms energy: -329.271745 where: bonds (distance) C4'-P energy: -96.737 bonds (distance) P-C4' energy: -101.854 flat angles C4'-P-C4' energy: -101.204 flat angles P-C4'-P energy: -44.991 tors. eta vs tors. theta energy: 15.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2005.744959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.744959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.744959 (E_RNA) where: Base-Base interactions energy: -1356.735 where: short stacking energy: -559.666 Base-Backbone interact. energy: 0.849 local terms energy: -649.858905 where: bonds (distance) C4'-P energy: -117.646 bonds (distance) P-C4' energy: -126.459 flat angles C4'-P-C4' energy: -132.659 flat angles P-C4'-P energy: -97.518 tors. eta vs tors. theta energy: -175.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1846.928065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.928065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.928065 (E_RNA) where: Base-Base interactions energy: -1233.986 where: short stacking energy: -554.362 Base-Backbone interact. energy: -1.555 local terms energy: -611.387461 where: bonds (distance) C4'-P energy: -122.080 bonds (distance) P-C4' energy: -114.247 flat angles C4'-P-C4' energy: -130.816 flat angles P-C4'-P energy: -81.806 tors. eta vs tors. theta energy: -162.438 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: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1814.918737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.918737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.918737 (E_RNA) where: Base-Base interactions energy: -1228.733 where: short stacking energy: -521.758 Base-Backbone interact. energy: -1.446 local terms energy: -584.739883 where: bonds (distance) C4'-P energy: -106.295 bonds (distance) P-C4' energy: -111.625 flat angles C4'-P-C4' energy: -135.606 flat angles P-C4'-P energy: -73.993 tors. eta vs tors. theta energy: -157.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1701.601636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.601636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.601636 (E_RNA) where: Base-Base interactions energy: -1127.852 where: short stacking energy: -502.029 Base-Backbone interact. energy: -0.769 local terms energy: -572.981037 where: bonds (distance) C4'-P energy: -104.396 bonds (distance) P-C4' energy: -127.369 flat angles C4'-P-C4' energy: -116.154 flat angles P-C4'-P energy: -83.622 tors. eta vs tors. theta energy: -141.441 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: 2 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1455.581363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.581363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.581363 (E_RNA) where: Base-Base interactions energy: -949.548 where: short stacking energy: -400.537 Base-Backbone interact. energy: -2.795 local terms energy: -503.238258 where: bonds (distance) C4'-P energy: -109.464 bonds (distance) P-C4' energy: -100.352 flat angles C4'-P-C4' energy: -105.270 flat angles P-C4'-P energy: -79.420 tors. eta vs tors. theta energy: -108.732 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: 1 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1362.893999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.893999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.893999 (E_RNA) where: Base-Base interactions energy: -836.831 where: short stacking energy: -386.385 Base-Backbone interact. energy: -2.417 local terms energy: -523.645586 where: bonds (distance) C4'-P energy: -113.483 bonds (distance) P-C4' energy: -121.794 flat angles C4'-P-C4' energy: -121.917 flat angles P-C4'-P energy: -67.846 tors. eta vs tors. theta energy: -98.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -873.306760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.306760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.306760 (E_RNA) where: Base-Base interactions energy: -455.914 where: short stacking energy: -242.483 Base-Backbone interact. energy: -1.661 local terms energy: -415.731728 where: bonds (distance) C4'-P energy: -101.169 bonds (distance) P-C4' energy: -99.444 flat angles C4'-P-C4' energy: -102.287 flat angles P-C4'-P energy: -75.968 tors. eta vs tors. theta energy: -36.863 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: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -721.974345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.974345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.974345 (E_RNA) where: Base-Base interactions energy: -340.247 where: short stacking energy: -193.704 Base-Backbone interact. energy: -0.557 local terms energy: -381.170856 where: bonds (distance) C4'-P energy: -92.472 bonds (distance) P-C4' energy: -99.719 flat angles C4'-P-C4' energy: -115.251 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -623.195029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.195029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.195029 (E_RNA) where: Base-Base interactions energy: -304.124 where: short stacking energy: -176.211 Base-Backbone interact. energy: -2.144 local terms energy: -316.926423 where: bonds (distance) C4'-P energy: -79.578 bonds (distance) P-C4' energy: -86.865 flat angles C4'-P-C4' energy: -85.517 flat angles P-C4'-P energy: -60.268 tors. eta vs tors. theta energy: -4.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -482.161184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.161184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.161184 (E_RNA) where: Base-Base interactions energy: -161.648 where: short stacking energy: -125.198 Base-Backbone interact. energy: -0.351 local terms energy: -320.161897 where: bonds (distance) C4'-P energy: -110.160 bonds (distance) P-C4' energy: -105.266 flat angles C4'-P-C4' energy: -92.938 flat angles P-C4'-P energy: -45.403 tors. eta vs tors. theta energy: 33.605 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: 1, replica: 10 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2002.167510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.167510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.167510 (E_RNA) where: Base-Base interactions energy: -1358.550 where: short stacking energy: -563.020 Base-Backbone interact. energy: -3.467 local terms energy: -640.151352 where: bonds (distance) C4'-P energy: -121.945 bonds (distance) P-C4' energy: -124.501 flat angles C4'-P-C4' energy: -137.660 flat angles P-C4'-P energy: -84.463 tors. eta vs tors. theta energy: -171.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1909.249920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.249920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.249920 (E_RNA) where: Base-Base interactions energy: -1280.695 where: short stacking energy: -532.097 Base-Backbone interact. energy: -2.359 local terms energy: -626.196306 where: bonds (distance) C4'-P energy: -122.478 bonds (distance) P-C4' energy: -115.554 flat angles C4'-P-C4' energy: -132.434 flat angles P-C4'-P energy: -95.324 tors. eta vs tors. theta energy: -160.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1831.424217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.424217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.424217 (E_RNA) where: Base-Base interactions energy: -1226.261 where: short stacking energy: -528.601 Base-Backbone interact. energy: -1.471 local terms energy: -603.691986 where: bonds (distance) C4'-P energy: -108.033 bonds (distance) P-C4' energy: -122.792 flat angles C4'-P-C4' energy: -131.070 flat angles P-C4'-P energy: -77.429 tors. eta vs tors. theta energy: -164.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1754.369876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.369876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.369876 (E_RNA) where: Base-Base interactions energy: -1179.040 where: short stacking energy: -502.427 Base-Backbone interact. energy: -0.749 local terms energy: -574.581753 where: bonds (distance) C4'-P energy: -93.077 bonds (distance) P-C4' energy: -113.495 flat angles C4'-P-C4' energy: -131.292 flat angles P-C4'-P energy: -80.706 tors. eta vs tors. theta energy: -156.011 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: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1425.382837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.382837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.382837 (E_RNA) where: Base-Base interactions energy: -928.135 where: short stacking energy: -398.024 Base-Backbone interact. energy: -0.957 local terms energy: -496.290230 where: bonds (distance) C4'-P energy: -101.732 bonds (distance) P-C4' energy: -106.327 flat angles C4'-P-C4' energy: -117.190 flat angles P-C4'-P energy: -76.764 tors. eta vs tors. theta energy: -94.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1384.834145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.834145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.834145 (E_RNA) where: Base-Base interactions energy: -902.183 where: short stacking energy: -379.436 Base-Backbone interact. energy: -2.128 local terms energy: -480.522926 where: bonds (distance) C4'-P energy: -94.648 bonds (distance) P-C4' energy: -110.183 flat angles C4'-P-C4' energy: -122.470 flat angles P-C4'-P energy: -71.713 tors. eta vs tors. theta energy: -81.509 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: 4 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -978.257137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.257137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.257137 (E_RNA) where: Base-Base interactions energy: -544.958 where: short stacking energy: -273.648 Base-Backbone interact. energy: 3.594 local terms energy: -436.893251 where: bonds (distance) C4'-P energy: -103.779 bonds (distance) P-C4' energy: -108.826 flat angles C4'-P-C4' energy: -97.803 flat angles P-C4'-P energy: -72.728 tors. eta vs tors. theta energy: -53.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -733.522355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.522355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.522355 (E_RNA) where: Base-Base interactions energy: -379.708 where: short stacking energy: -222.775 Base-Backbone interact. energy: -1.975 local terms energy: -351.839453 where: bonds (distance) C4'-P energy: -91.128 bonds (distance) P-C4' energy: -106.874 flat angles C4'-P-C4' energy: -83.455 flat angles P-C4'-P energy: -56.998 tors. eta vs tors. theta energy: -13.385 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: 9, replica: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -634.865454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.865454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.865454 (E_RNA) where: Base-Base interactions energy: -305.448 where: short stacking energy: -177.530 Base-Backbone interact. energy: -2.303 local terms energy: -327.114047 where: bonds (distance) C4'-P energy: -107.204 bonds (distance) P-C4' energy: -104.033 flat angles C4'-P-C4' energy: -77.845 flat angles P-C4'-P energy: -51.291 tors. eta vs tors. theta energy: 13.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -458.830962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.830962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.830962 (E_RNA) where: Base-Base interactions energy: -153.688 where: short stacking energy: -133.176 Base-Backbone interact. energy: -2.376 local terms energy: -302.766753 where: bonds (distance) C4'-P energy: -87.546 bonds (distance) P-C4' energy: -93.046 flat angles C4'-P-C4' energy: -75.913 flat angles P-C4'-P energy: -54.334 tors. eta vs tors. theta energy: 8.074 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: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2044.287334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.287334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.287334 (E_RNA) where: Base-Base interactions energy: -1400.832 where: short stacking energy: -563.873 Base-Backbone interact. energy: 0.382 local terms energy: -643.837571 where: bonds (distance) C4'-P energy: -119.687 bonds (distance) P-C4' energy: -120.158 flat angles C4'-P-C4' energy: -136.212 flat angles P-C4'-P energy: -89.873 tors. eta vs tors. theta energy: -177.908 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: 7 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1919.025796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.025796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.025796 (E_RNA) where: Base-Base interactions energy: -1282.185 where: short stacking energy: -541.074 Base-Backbone interact. energy: -0.727 local terms energy: -636.113605 where: bonds (distance) C4'-P energy: -135.733 bonds (distance) P-C4' energy: -121.536 flat angles C4'-P-C4' energy: -129.799 flat angles P-C4'-P energy: -93.729 tors. eta vs tors. theta energy: -155.317 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: 86 Temperature: 1.000000 Total energy: -1836.125915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.125915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.125915 (E_RNA) where: Base-Base interactions energy: -1214.142 where: short stacking energy: -523.412 Base-Backbone interact. energy: -2.002 local terms energy: -619.982540 where: bonds (distance) C4'-P energy: -120.007 bonds (distance) P-C4' energy: -122.400 flat angles C4'-P-C4' energy: -129.213 flat angles P-C4'-P energy: -85.831 tors. eta vs tors. theta energy: -162.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1748.629386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.629386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.629386 (E_RNA) where: Base-Base interactions energy: -1190.828 where: short stacking energy: -508.906 Base-Backbone interact. energy: -2.266 local terms energy: -555.535410 where: bonds (distance) C4'-P energy: -102.967 bonds (distance) P-C4' energy: -113.143 flat angles C4'-P-C4' energy: -119.999 flat angles P-C4'-P energy: -80.428 tors. eta vs tors. theta energy: -138.999 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: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1477.036519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.036519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.036519 (E_RNA) where: Base-Base interactions energy: -952.436 where: short stacking energy: -435.713 Base-Backbone interact. energy: 2.458 local terms energy: -527.057728 where: bonds (distance) C4'-P energy: -103.449 bonds (distance) P-C4' energy: -113.192 flat angles C4'-P-C4' energy: -119.887 flat angles P-C4'-P energy: -77.289 tors. eta vs tors. theta energy: -113.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1399.876056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.876056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.876056 (E_RNA) where: Base-Base interactions energy: -903.336 where: short stacking energy: -391.881 Base-Backbone interact. energy: 2.665 local terms energy: -499.204952 where: bonds (distance) C4'-P energy: -121.196 bonds (distance) P-C4' energy: -91.112 flat angles C4'-P-C4' energy: -110.983 flat angles P-C4'-P energy: -70.931 tors. eta vs tors. theta energy: -104.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1005.114134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.114134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.114134 (E_RNA) where: Base-Base interactions energy: -582.198 where: short stacking energy: -275.742 Base-Backbone interact. energy: 0.882 local terms energy: -423.798025 where: bonds (distance) C4'-P energy: -108.965 bonds (distance) P-C4' energy: -108.944 flat angles C4'-P-C4' energy: -108.719 flat angles P-C4'-P energy: -49.508 tors. eta vs tors. theta energy: -47.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -756.621942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.621942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.621942 (E_RNA) where: Base-Base interactions energy: -404.697 where: short stacking energy: -214.760 Base-Backbone interact. energy: -1.731 local terms energy: -350.193611 where: bonds (distance) C4'-P energy: -102.960 bonds (distance) P-C4' energy: -86.452 flat angles C4'-P-C4' energy: -96.871 flat angles P-C4'-P energy: -67.120 tors. eta vs tors. theta energy: 3.209 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: 8 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -622.750846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.750846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.750846 (E_RNA) where: Base-Base interactions energy: -301.785 where: short stacking energy: -191.581 Base-Backbone interact. energy: 0.469 local terms energy: -321.435083 where: bonds (distance) C4'-P energy: -99.373 bonds (distance) P-C4' energy: -91.346 flat angles C4'-P-C4' energy: -94.264 flat angles P-C4'-P energy: -36.893 tors. eta vs tors. theta energy: 0.440 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: 6 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -467.318445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.318445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.318445 (E_RNA) where: Base-Base interactions energy: -151.823 where: short stacking energy: -102.616 Base-Backbone interact. energy: 4.144 local terms energy: -319.639380 where: bonds (distance) C4'-P energy: -117.186 bonds (distance) P-C4' energy: -79.938 flat angles C4'-P-C4' energy: -80.274 flat angles P-C4'-P energy: -61.933 tors. eta vs tors. theta energy: 19.691 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: 1, replica: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2026.732548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.732548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.732548 (E_RNA) where: Base-Base interactions energy: -1373.614 where: short stacking energy: -567.978 Base-Backbone interact. energy: 0.436 local terms energy: -653.555032 where: bonds (distance) C4'-P energy: -121.881 bonds (distance) P-C4' energy: -112.568 flat angles C4'-P-C4' energy: -142.001 flat angles P-C4'-P energy: -93.882 tors. eta vs tors. theta energy: -183.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1876.920908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.920908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.920908 (E_RNA) where: Base-Base interactions energy: -1277.086 where: short stacking energy: -563.296 Base-Backbone interact. energy: 1.577 local terms energy: -601.412082 where: bonds (distance) C4'-P energy: -114.973 bonds (distance) P-C4' energy: -111.490 flat angles C4'-P-C4' energy: -129.865 flat angles P-C4'-P energy: -97.559 tors. eta vs tors. theta energy: -147.525 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: 87 Temperature: 1.000000 Total energy: -1790.016342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.016342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.016342 (E_RNA) where: Base-Base interactions energy: -1204.379 where: short stacking energy: -523.125 Base-Backbone interact. energy: -2.172 local terms energy: -583.464802 where: bonds (distance) C4'-P energy: -123.653 bonds (distance) P-C4' energy: -111.767 flat angles C4'-P-C4' energy: -115.147 flat angles P-C4'-P energy: -85.821 tors. eta vs tors. theta energy: -147.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1675.519536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.519536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.519536 (E_RNA) where: Base-Base interactions energy: -1110.611 where: short stacking energy: -480.141 Base-Backbone interact. energy: -1.417 local terms energy: -563.492098 where: bonds (distance) C4'-P energy: -115.170 bonds (distance) P-C4' energy: -105.821 flat angles C4'-P-C4' energy: -125.289 flat angles P-C4'-P energy: -76.514 tors. eta vs tors. theta energy: -140.698 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: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1499.327149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.327149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.327149 (E_RNA) where: Base-Base interactions energy: -973.521 where: short stacking energy: -418.651 Base-Backbone interact. energy: -1.487 local terms energy: -524.319239 where: bonds (distance) C4'-P energy: -117.135 bonds (distance) P-C4' energy: -102.433 flat angles C4'-P-C4' energy: -127.674 flat angles P-C4'-P energy: -73.644 tors. eta vs tors. theta energy: -103.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1438.062696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.062696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.062696 (E_RNA) where: Base-Base interactions energy: -926.643 where: short stacking energy: -409.558 Base-Backbone interact. energy: 1.550 local terms energy: -512.969130 where: bonds (distance) C4'-P energy: -110.418 bonds (distance) P-C4' energy: -112.680 flat angles C4'-P-C4' energy: -125.051 flat angles P-C4'-P energy: -57.371 tors. eta vs tors. theta energy: -107.449 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: 87 Temperature: 1.200000 Total energy: -1032.055639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.055639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.055639 (E_RNA) where: Base-Base interactions energy: -602.870 where: short stacking energy: -306.254 Base-Backbone interact. energy: 2.365 local terms energy: -431.550466 where: bonds (distance) C4'-P energy: -106.778 bonds (distance) P-C4' energy: -97.326 flat angles C4'-P-C4' energy: -111.098 flat angles P-C4'-P energy: -55.516 tors. eta vs tors. theta energy: -60.832 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: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -777.247292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.247292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.247292 (E_RNA) where: Base-Base interactions energy: -425.172 where: short stacking energy: -202.442 Base-Backbone interact. energy: 0.742 local terms energy: -352.816933 where: bonds (distance) C4'-P energy: -84.869 bonds (distance) P-C4' energy: -113.860 flat angles C4'-P-C4' energy: -84.765 flat angles P-C4'-P energy: -62.259 tors. eta vs tors. theta energy: -7.063 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: 9, replica: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -627.550696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.550696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.550696 (E_RNA) where: Base-Base interactions energy: -304.810 where: short stacking energy: -190.190 Base-Backbone interact. energy: 3.312 local terms energy: -326.053002 where: bonds (distance) C4'-P energy: -87.865 bonds (distance) P-C4' energy: -95.425 flat angles C4'-P-C4' energy: -95.944 flat angles P-C4'-P energy: -54.463 tors. eta vs tors. theta energy: 7.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -452.991791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.991791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.991791 (E_RNA) where: Base-Base interactions energy: -143.916 where: short stacking energy: -121.011 Base-Backbone interact. energy: 0.127 local terms energy: -309.202832 where: bonds (distance) C4'-P energy: -99.272 bonds (distance) P-C4' energy: -103.318 flat angles C4'-P-C4' energy: -91.066 flat angles P-C4'-P energy: -51.397 tors. eta vs tors. theta energy: 35.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2026.325505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.325505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.325505 (E_RNA) where: Base-Base interactions energy: -1386.360 where: short stacking energy: -565.549 Base-Backbone interact. energy: -0.749 local terms energy: -639.217102 where: bonds (distance) C4'-P energy: -116.897 bonds (distance) P-C4' energy: -122.228 flat angles C4'-P-C4' energy: -136.033 flat angles P-C4'-P energy: -91.937 tors. eta vs tors. theta energy: -172.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1910.178618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.178618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.178618 (E_RNA) where: Base-Base interactions energy: -1287.050 where: short stacking energy: -575.473 Base-Backbone interact. energy: -1.381 local terms energy: -621.747543 where: bonds (distance) C4'-P energy: -116.774 bonds (distance) P-C4' energy: -111.939 flat angles C4'-P-C4' energy: -135.144 flat angles P-C4'-P energy: -82.526 tors. eta vs tors. theta energy: -175.365 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: 88 Temperature: 1.000000 Total energy: -1796.606483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.606483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.606483 (E_RNA) where: Base-Base interactions energy: -1177.743 where: short stacking energy: -514.286 Base-Backbone interact. energy: 0.681 local terms energy: -619.544728 where: bonds (distance) C4'-P energy: -126.173 bonds (distance) P-C4' energy: -125.637 flat angles C4'-P-C4' energy: -132.057 flat angles P-C4'-P energy: -80.315 tors. eta vs tors. theta energy: -155.363 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: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1699.927380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.927380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.927380 (E_RNA) where: Base-Base interactions energy: -1140.816 where: short stacking energy: -470.933 Base-Backbone interact. energy: -2.119 local terms energy: -556.993069 where: bonds (distance) C4'-P energy: -98.303 bonds (distance) P-C4' energy: -115.059 flat angles C4'-P-C4' energy: -126.006 flat angles P-C4'-P energy: -77.772 tors. eta vs tors. theta energy: -139.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1532.128315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.128315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.128315 (E_RNA) where: Base-Base interactions energy: -976.923 where: short stacking energy: -431.437 Base-Backbone interact. energy: -2.173 local terms energy: -553.032342 where: bonds (distance) C4'-P energy: -102.435 bonds (distance) P-C4' energy: -115.557 flat angles C4'-P-C4' energy: -123.647 flat angles P-C4'-P energy: -80.168 tors. eta vs tors. theta energy: -131.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1407.827507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.827507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.827507 (E_RNA) where: Base-Base interactions energy: -926.835 where: short stacking energy: -411.886 Base-Backbone interact. energy: 2.169 local terms energy: -483.161527 where: bonds (distance) C4'-P energy: -97.777 bonds (distance) P-C4' energy: -96.483 flat angles C4'-P-C4' energy: -110.318 flat angles P-C4'-P energy: -74.410 tors. eta vs tors. theta energy: -104.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1063.492332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.492332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.492332 (E_RNA) where: Base-Base interactions energy: -645.717 where: short stacking energy: -313.567 Base-Backbone interact. energy: 0.781 local terms energy: -418.555602 where: bonds (distance) C4'-P energy: -91.045 bonds (distance) P-C4' energy: -99.049 flat angles C4'-P-C4' energy: -93.907 flat angles P-C4'-P energy: -60.637 tors. eta vs tors. theta energy: -73.917 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: 9 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -767.917899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.917899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.917899 (E_RNA) where: Base-Base interactions energy: -399.383 where: short stacking energy: -197.209 Base-Backbone interact. energy: -3.599 local terms energy: -364.936431 where: bonds (distance) C4'-P energy: -92.435 bonds (distance) P-C4' energy: -99.694 flat angles C4'-P-C4' energy: -95.267 flat angles P-C4'-P energy: -69.275 tors. eta vs tors. theta energy: -8.266 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: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -647.220321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.220321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.220321 (E_RNA) where: Base-Base interactions energy: -320.236 where: short stacking energy: -211.276 Base-Backbone interact. energy: -0.166 local terms energy: -326.818756 where: bonds (distance) C4'-P energy: -83.839 bonds (distance) P-C4' energy: -102.790 flat angles C4'-P-C4' energy: -90.018 flat angles P-C4'-P energy: -47.763 tors. eta vs tors. theta energy: -2.409 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: 6 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -485.612924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.612924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.612924 (E_RNA) where: Base-Base interactions energy: -170.586 where: short stacking energy: -111.517 Base-Backbone interact. energy: -0.202 local terms energy: -314.824870 where: bonds (distance) C4'-P energy: -98.541 bonds (distance) P-C4' energy: -119.677 flat angles C4'-P-C4' energy: -80.157 flat angles P-C4'-P energy: -37.487 tors. eta vs tors. theta energy: 21.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2030.615076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.615076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.615076 (E_RNA) where: Base-Base interactions energy: -1383.232 where: short stacking energy: -583.839 Base-Backbone interact. energy: -4.288 local terms energy: -643.094273 where: bonds (distance) C4'-P energy: -123.695 bonds (distance) P-C4' energy: -122.170 flat angles C4'-P-C4' energy: -135.822 flat angles P-C4'-P energy: -82.927 tors. eta vs tors. theta energy: -178.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1915.568015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.568015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.568015 (E_RNA) where: Base-Base interactions energy: -1306.309 where: short stacking energy: -550.286 Base-Backbone interact. energy: -2.497 local terms energy: -606.762015 where: bonds (distance) C4'-P energy: -106.931 bonds (distance) P-C4' energy: -119.483 flat angles C4'-P-C4' energy: -134.949 flat angles P-C4'-P energy: -89.144 tors. eta vs tors. theta energy: -156.255 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: 89 Temperature: 1.000000 Total energy: -1816.291650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.291650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.291650 (E_RNA) where: Base-Base interactions energy: -1214.721 where: short stacking energy: -496.642 Base-Backbone interact. energy: -0.565 local terms energy: -601.005323 where: bonds (distance) C4'-P energy: -118.650 bonds (distance) P-C4' energy: -119.244 flat angles C4'-P-C4' energy: -135.462 flat angles P-C4'-P energy: -71.656 tors. eta vs tors. theta energy: -155.994 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: 4, replica: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1753.443775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.443775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.443775 (E_RNA) where: Base-Base interactions energy: -1158.582 where: short stacking energy: -513.867 Base-Backbone interact. energy: -0.975 local terms energy: -593.886629 where: bonds (distance) C4'-P energy: -106.308 bonds (distance) P-C4' energy: -124.479 flat angles C4'-P-C4' energy: -113.368 flat angles P-C4'-P energy: -96.679 tors. eta vs tors. theta energy: -153.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1457.676427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.676427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.676427 (E_RNA) where: Base-Base interactions energy: -933.134 where: short stacking energy: -436.238 Base-Backbone interact. energy: 0.417 local terms energy: -524.959691 where: bonds (distance) C4'-P energy: -114.652 bonds (distance) P-C4' energy: -107.446 flat angles C4'-P-C4' energy: -106.785 flat angles P-C4'-P energy: -80.032 tors. eta vs tors. theta energy: -116.045 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: 6, replica: 1 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1430.115840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.115840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.115840 (E_RNA) where: Base-Base interactions energy: -935.063 where: short stacking energy: -391.515 Base-Backbone interact. energy: 5.789 local terms energy: -500.841293 where: bonds (distance) C4'-P energy: -112.615 bonds (distance) P-C4' energy: -99.407 flat angles C4'-P-C4' energy: -121.484 flat angles P-C4'-P energy: -67.584 tors. eta vs tors. theta energy: -99.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1052.119488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.119488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.119488 (E_RNA) where: Base-Base interactions energy: -610.672 where: short stacking energy: -289.862 Base-Backbone interact. energy: -1.178 local terms energy: -440.270282 where: bonds (distance) C4'-P energy: -98.774 bonds (distance) P-C4' energy: -113.595 flat angles C4'-P-C4' energy: -108.985 flat angles P-C4'-P energy: -65.875 tors. eta vs tors. theta energy: -53.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -773.934482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.934482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.934482 (E_RNA) where: Base-Base interactions energy: -395.788 where: short stacking energy: -231.693 Base-Backbone interact. energy: -2.467 local terms energy: -375.679717 where: bonds (distance) C4'-P energy: -97.031 bonds (distance) P-C4' energy: -101.764 flat angles C4'-P-C4' energy: -83.537 flat angles P-C4'-P energy: -73.585 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: 89 Temperature: 1.300000 Total energy: -623.127853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.127853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.127853 (E_RNA) where: Base-Base interactions energy: -293.742 where: short stacking energy: -173.982 Base-Backbone interact. energy: -3.736 local terms energy: -325.650134 where: bonds (distance) C4'-P energy: -97.123 bonds (distance) P-C4' energy: -107.545 flat angles C4'-P-C4' energy: -74.629 flat angles P-C4'-P energy: -45.054 tors. eta vs tors. theta energy: -1.299 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: 6 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -466.233515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.233515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.233515 (E_RNA) where: Base-Base interactions energy: -167.706 where: short stacking energy: -120.608 Base-Backbone interact. energy: 0.246 local terms energy: -298.773389 where: bonds (distance) C4'-P energy: -90.654 bonds (distance) P-C4' energy: -111.578 flat angles C4'-P-C4' energy: -68.682 flat angles P-C4'-P energy: -55.992 tors. eta vs tors. theta energy: 28.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2061.449447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.449447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.449447 (E_RNA) where: Base-Base interactions energy: -1398.316 where: short stacking energy: -585.691 Base-Backbone interact. energy: -4.651 local terms energy: -658.482770 where: bonds (distance) C4'-P energy: -124.120 bonds (distance) P-C4' energy: -127.085 flat angles C4'-P-C4' energy: -140.294 flat angles P-C4'-P energy: -86.883 tors. eta vs tors. theta energy: -180.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1930.029057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.029057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.029057 (E_RNA) where: Base-Base interactions energy: -1319.868 where: short stacking energy: -538.952 Base-Backbone interact. energy: -3.424 local terms energy: -606.737827 where: bonds (distance) C4'-P energy: -111.933 bonds (distance) P-C4' energy: -113.880 flat angles C4'-P-C4' energy: -141.272 flat angles P-C4'-P energy: -86.308 tors. eta vs tors. theta energy: -153.345 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: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1797.207014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.207014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.207014 (E_RNA) where: Base-Base interactions energy: -1174.336 where: short stacking energy: -501.142 Base-Backbone interact. energy: -4.060 local terms energy: -618.810739 where: bonds (distance) C4'-P energy: -120.402 bonds (distance) P-C4' energy: -111.630 flat angles C4'-P-C4' energy: -138.399 flat angles P-C4'-P energy: -92.776 tors. eta vs tors. theta energy: -155.603 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: 4, replica: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1758.747872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.747872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.747872 (E_RNA) where: Base-Base interactions energy: -1191.580 where: short stacking energy: -509.560 Base-Backbone interact. energy: -0.182 local terms energy: -566.986174 where: bonds (distance) C4'-P energy: -98.447 bonds (distance) P-C4' energy: -105.106 flat angles C4'-P-C4' energy: -130.864 flat angles P-C4'-P energy: -92.615 tors. eta vs tors. theta energy: -139.954 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: 5, replica: 1 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1560.966829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.966829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.966829 (E_RNA) where: Base-Base interactions energy: -1006.022 where: short stacking energy: -473.085 Base-Backbone interact. energy: 0.132 local terms energy: -555.077532 where: bonds (distance) C4'-P energy: -112.778 bonds (distance) P-C4' energy: -114.308 flat angles C4'-P-C4' energy: -125.652 flat angles P-C4'-P energy: -80.728 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: 6, replica: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1402.675415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.675415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.675415 (E_RNA) where: Base-Base interactions energy: -880.660 where: short stacking energy: -376.527 Base-Backbone interact. energy: 0.225 local terms energy: -522.241178 where: bonds (distance) C4'-P energy: -117.201 bonds (distance) P-C4' energy: -109.072 flat angles C4'-P-C4' energy: -117.677 flat angles P-C4'-P energy: -82.146 tors. eta vs tors. theta energy: -96.145 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: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -992.226768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.226768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.226768 (E_RNA) where: Base-Base interactions energy: -582.301 where: short stacking energy: -303.217 Base-Backbone interact. energy: -3.249 local terms energy: -406.677169 where: bonds (distance) C4'-P energy: -90.386 bonds (distance) P-C4' energy: -101.631 flat angles C4'-P-C4' energy: -107.263 flat angles P-C4'-P energy: -62.591 tors. eta vs tors. theta energy: -44.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -734.108590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.108590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.108590 (E_RNA) where: Base-Base interactions energy: -371.512 where: short stacking energy: -216.060 Base-Backbone interact. energy: -0.596 local terms energy: -362.001367 where: bonds (distance) C4'-P energy: -104.240 bonds (distance) P-C4' energy: -110.127 flat angles C4'-P-C4' energy: -95.515 flat angles P-C4'-P energy: -38.867 tors. eta vs tors. theta energy: -13.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -630.302440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.302440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.302440 (E_RNA) where: Base-Base interactions energy: -265.191 where: short stacking energy: -168.455 Base-Backbone interact. energy: -1.711 local terms energy: -363.400347 where: bonds (distance) C4'-P energy: -115.002 bonds (distance) P-C4' energy: -95.356 flat angles C4'-P-C4' energy: -103.270 flat angles P-C4'-P energy: -54.109 tors. eta vs tors. theta energy: 4.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -466.137955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.137955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.137955 (E_RNA) where: Base-Base interactions energy: -155.722 where: short stacking energy: -98.930 Base-Backbone interact. energy: -0.611 local terms energy: -309.805014 where: bonds (distance) C4'-P energy: -101.463 bonds (distance) P-C4' energy: -112.000 flat angles C4'-P-C4' energy: -88.694 flat angles P-C4'-P energy: -45.704 tors. eta vs tors. theta energy: 38.056 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: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2063.823287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.823287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.823287 (E_RNA) where: Base-Base interactions energy: -1390.522 where: short stacking energy: -580.287 Base-Backbone interact. energy: -2.780 local terms energy: -670.521139 where: bonds (distance) C4'-P energy: -130.992 bonds (distance) P-C4' energy: -117.999 flat angles C4'-P-C4' energy: -155.560 flat angles P-C4'-P energy: -93.206 tors. eta vs tors. theta energy: -172.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1947.324314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.324314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.324314 (E_RNA) where: Base-Base interactions energy: -1331.235 where: short stacking energy: -572.365 Base-Backbone interact. energy: -3.708 local terms energy: -612.381842 where: bonds (distance) C4'-P energy: -105.471 bonds (distance) P-C4' energy: -119.473 flat angles C4'-P-C4' energy: -142.589 flat angles P-C4'-P energy: -86.873 tors. eta vs tors. theta energy: -157.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1751.789343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.789343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.789343 (E_RNA) where: Base-Base interactions energy: -1159.751 where: short stacking energy: -503.510 Base-Backbone interact. energy: -4.958 local terms energy: -587.080638 where: bonds (distance) C4'-P energy: -104.106 bonds (distance) P-C4' energy: -122.745 flat angles C4'-P-C4' energy: -121.836 flat angles P-C4'-P energy: -85.121 tors. eta vs tors. theta energy: -153.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1762.008442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.008442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.008442 (E_RNA) where: Base-Base interactions energy: -1153.920 where: short stacking energy: -516.662 Base-Backbone interact. energy: -0.286 local terms energy: -607.802316 where: bonds (distance) C4'-P energy: -115.252 bonds (distance) P-C4' energy: -114.958 flat angles C4'-P-C4' energy: -135.475 flat angles P-C4'-P energy: -82.544 tors. eta vs tors. theta energy: -159.574 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: 5, replica: 1 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1503.081391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.081391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.081391 (E_RNA) where: Base-Base interactions energy: -956.289 where: short stacking energy: -431.761 Base-Backbone interact. energy: -0.065 local terms energy: -546.726640 where: bonds (distance) C4'-P energy: -113.378 bonds (distance) P-C4' energy: -110.901 flat angles C4'-P-C4' energy: -126.963 flat angles P-C4'-P energy: -84.080 tors. eta vs tors. theta energy: -111.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1382.836295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.836295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.836295 (E_RNA) where: Base-Base interactions energy: -906.364 where: short stacking energy: -361.689 Base-Backbone interact. energy: -3.433 local terms energy: -473.039724 where: bonds (distance) C4'-P energy: -93.674 bonds (distance) P-C4' energy: -116.481 flat angles C4'-P-C4' energy: -108.581 flat angles P-C4'-P energy: -59.288 tors. eta vs tors. theta energy: -95.016 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: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1023.459097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.459097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.459097 (E_RNA) where: Base-Base interactions energy: -591.116 where: short stacking energy: -286.657 Base-Backbone interact. energy: -3.721 local terms energy: -428.621669 where: bonds (distance) C4'-P energy: -106.927 bonds (distance) P-C4' energy: -98.586 flat angles C4'-P-C4' energy: -102.956 flat angles P-C4'-P energy: -70.875 tors. eta vs tors. theta energy: -49.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -707.245561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.245561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.245561 (E_RNA) where: Base-Base interactions energy: -333.900 where: short stacking energy: -195.653 Base-Backbone interact. energy: 5.617 local terms energy: -378.962387 where: bonds (distance) C4'-P energy: -108.506 bonds (distance) P-C4' energy: -114.646 flat angles C4'-P-C4' energy: -94.711 flat angles P-C4'-P energy: -46.302 tors. eta vs tors. theta energy: -14.797 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: 91 Temperature: 1.300000 Total energy: -597.370208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.370208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.370208 (E_RNA) where: Base-Base interactions energy: -278.110 where: short stacking energy: -163.956 Base-Backbone interact. energy: 7.526 local terms energy: -326.786508 where: bonds (distance) C4'-P energy: -98.249 bonds (distance) P-C4' energy: -95.950 flat angles C4'-P-C4' energy: -95.005 flat angles P-C4'-P energy: -49.256 tors. eta vs tors. theta energy: 11.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -523.716158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.716158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.716158 (E_RNA) where: Base-Base interactions energy: -212.485 where: short stacking energy: -137.238 Base-Backbone interact. energy: -1.983 local terms energy: -309.248352 where: bonds (distance) C4'-P energy: -101.538 bonds (distance) P-C4' energy: -115.247 flat angles C4'-P-C4' energy: -76.253 flat angles P-C4'-P energy: -33.451 tors. eta vs tors. theta energy: 17.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2028.597026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.597026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.597026 (E_RNA) where: Base-Base interactions energy: -1370.084 where: short stacking energy: -571.104 Base-Backbone interact. energy: -1.299 local terms energy: -657.214453 where: bonds (distance) C4'-P energy: -125.873 bonds (distance) P-C4' energy: -128.963 flat angles C4'-P-C4' energy: -136.348 flat angles P-C4'-P energy: -97.687 tors. eta vs tors. theta energy: -168.344 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: 7 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1931.810053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.810053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.810053 (E_RNA) where: Base-Base interactions energy: -1328.238 where: short stacking energy: -536.912 Base-Backbone interact. energy: -1.402 local terms energy: -602.169284 where: bonds (distance) C4'-P energy: -114.978 bonds (distance) P-C4' energy: -117.708 flat angles C4'-P-C4' energy: -117.942 flat angles P-C4'-P energy: -87.718 tors. eta vs tors. theta energy: -163.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1787.384009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.384009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.384009 (E_RNA) where: Base-Base interactions energy: -1189.992 where: short stacking energy: -508.688 Base-Backbone interact. energy: -0.467 local terms energy: -596.924972 where: bonds (distance) C4'-P energy: -109.111 bonds (distance) P-C4' energy: -123.153 flat angles C4'-P-C4' energy: -126.016 flat angles P-C4'-P energy: -81.954 tors. eta vs tors. theta energy: -156.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1738.617875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.617875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.617875 (E_RNA) where: Base-Base interactions energy: -1154.374 where: short stacking energy: -508.918 Base-Backbone interact. energy: 1.805 local terms energy: -586.048347 where: bonds (distance) C4'-P energy: -120.066 bonds (distance) P-C4' energy: -116.697 flat angles C4'-P-C4' energy: -125.153 flat angles P-C4'-P energy: -85.238 tors. eta vs tors. theta energy: -138.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1507.968747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.968747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.968747 (E_RNA) where: Base-Base interactions energy: -973.451 where: short stacking energy: -428.856 Base-Backbone interact. energy: -1.261 local terms energy: -533.256546 where: bonds (distance) C4'-P energy: -97.692 bonds (distance) P-C4' energy: -135.618 flat angles C4'-P-C4' energy: -119.664 flat angles P-C4'-P energy: -70.758 tors. eta vs tors. theta energy: -109.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1377.697384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.697384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.697384 (E_RNA) where: Base-Base interactions energy: -903.684 where: short stacking energy: -383.039 Base-Backbone interact. energy: 6.377 local terms energy: -480.390342 where: bonds (distance) C4'-P energy: -93.703 bonds (distance) P-C4' energy: -113.787 flat angles C4'-P-C4' energy: -111.673 flat angles P-C4'-P energy: -69.434 tors. eta vs tors. theta energy: -91.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1025.706171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.706171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.706171 (E_RNA) where: Base-Base interactions energy: -578.412 where: short stacking energy: -273.988 Base-Backbone interact. energy: -2.382 local terms energy: -444.911985 where: bonds (distance) C4'-P energy: -97.599 bonds (distance) P-C4' energy: -120.246 flat angles C4'-P-C4' energy: -103.256 flat angles P-C4'-P energy: -73.943 tors. eta vs tors. theta energy: -49.868 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: 9 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -736.168278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.168278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.168278 (E_RNA) where: Base-Base interactions energy: -344.707 where: short stacking energy: -173.635 Base-Backbone interact. energy: -1.995 local terms energy: -389.465641 where: bonds (distance) C4'-P energy: -99.163 bonds (distance) P-C4' energy: -111.062 flat angles C4'-P-C4' energy: -96.221 flat angles P-C4'-P energy: -59.122 tors. eta vs tors. theta energy: -23.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -607.421857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.421857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.421857 (E_RNA) where: Base-Base interactions energy: -249.068 where: short stacking energy: -167.882 Base-Backbone interact. energy: -1.401 local terms energy: -356.953682 where: bonds (distance) C4'-P energy: -91.515 bonds (distance) P-C4' energy: -109.378 flat angles C4'-P-C4' energy: -89.096 flat angles P-C4'-P energy: -58.376 tors. eta vs tors. theta energy: -8.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -482.408276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.408276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.408276 (E_RNA) where: Base-Base interactions energy: -167.231 where: short stacking energy: -129.383 Base-Backbone interact. energy: 4.137 local terms energy: -319.314769 where: bonds (distance) C4'-P energy: -92.356 bonds (distance) P-C4' energy: -96.692 flat angles C4'-P-C4' energy: -106.081 flat angles P-C4'-P energy: -53.377 tors. eta vs tors. theta energy: 29.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2030.961253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.961253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.961253 (E_RNA) where: Base-Base interactions energy: -1389.929 where: short stacking energy: -579.902 Base-Backbone interact. energy: -3.148 local terms energy: -637.883623 where: bonds (distance) C4'-P energy: -124.316 bonds (distance) P-C4' energy: -128.612 flat angles C4'-P-C4' energy: -139.873 flat angles P-C4'-P energy: -81.943 tors. eta vs tors. theta energy: -163.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1964.248220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.248220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.248220 (E_RNA) where: Base-Base interactions energy: -1340.323 where: short stacking energy: -571.541 Base-Backbone interact. energy: -0.505 local terms energy: -623.420096 where: bonds (distance) C4'-P energy: -117.367 bonds (distance) P-C4' energy: -120.967 flat angles C4'-P-C4' energy: -131.497 flat angles P-C4'-P energy: -86.803 tors. eta vs tors. theta energy: -166.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1832.254548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.254548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.254548 (E_RNA) where: Base-Base interactions energy: -1229.905 where: short stacking energy: -518.515 Base-Backbone interact. energy: -3.301 local terms energy: -599.048542 where: bonds (distance) C4'-P energy: -116.141 bonds (distance) P-C4' energy: -97.075 flat angles C4'-P-C4' energy: -135.576 flat angles P-C4'-P energy: -89.743 tors. eta vs tors. theta energy: -160.514 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: 93 Temperature: 1.050000 Total energy: -1714.754119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.754119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.754119 (E_RNA) where: Base-Base interactions energy: -1117.417 where: short stacking energy: -500.155 Base-Backbone interact. energy: -1.849 local terms energy: -595.487980 where: bonds (distance) C4'-P energy: -117.391 bonds (distance) P-C4' energy: -126.599 flat angles C4'-P-C4' energy: -124.065 flat angles P-C4'-P energy: -88.125 tors. eta vs tors. theta energy: -139.307 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: 5, replica: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1574.068872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.068872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.068872 (E_RNA) where: Base-Base interactions energy: -1025.828 where: short stacking energy: -437.772 Base-Backbone interact. energy: 0.376 local terms energy: -548.616818 where: bonds (distance) C4'-P energy: -114.137 bonds (distance) P-C4' energy: -118.918 flat angles C4'-P-C4' energy: -119.138 flat angles P-C4'-P energy: -76.136 tors. eta vs tors. theta energy: -120.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1349.058851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.058851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.058851 (E_RNA) where: Base-Base interactions energy: -857.000 where: short stacking energy: -380.966 Base-Backbone interact. energy: 2.341 local terms energy: -494.399219 where: bonds (distance) C4'-P energy: -106.333 bonds (distance) P-C4' energy: -115.861 flat angles C4'-P-C4' energy: -112.897 flat angles P-C4'-P energy: -58.780 tors. eta vs tors. theta energy: -100.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -997.805191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.805191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.805191 (E_RNA) where: Base-Base interactions energy: -581.866 where: short stacking energy: -298.885 Base-Backbone interact. energy: -2.809 local terms energy: -413.129572 where: bonds (distance) C4'-P energy: -97.263 bonds (distance) P-C4' energy: -98.516 flat angles C4'-P-C4' energy: -105.229 flat angles P-C4'-P energy: -53.833 tors. eta vs tors. theta energy: -58.289 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: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -675.910240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.910240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.910240 (E_RNA) where: Base-Base interactions energy: -317.552 where: short stacking energy: -177.038 Base-Backbone interact. energy: -0.824 local terms energy: -357.534913 where: bonds (distance) C4'-P energy: -105.187 bonds (distance) P-C4' energy: -116.044 flat angles C4'-P-C4' energy: -82.895 flat angles P-C4'-P energy: -56.432 tors. eta vs tors. theta energy: 3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -683.204783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.204783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.204783 (E_RNA) where: Base-Base interactions energy: -337.351 where: short stacking energy: -183.949 Base-Backbone interact. energy: -1.895 local terms energy: -343.959537 where: bonds (distance) C4'-P energy: -88.249 bonds (distance) P-C4' energy: -103.152 flat angles C4'-P-C4' energy: -87.500 flat angles P-C4'-P energy: -57.329 tors. eta vs tors. theta energy: -7.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -457.349752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.349752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.349752 (E_RNA) where: Base-Base interactions energy: -165.316 where: short stacking energy: -144.151 Base-Backbone interact. energy: 0.199 local terms energy: -292.232713 where: bonds (distance) C4'-P energy: -87.379 bonds (distance) P-C4' energy: -89.919 flat angles C4'-P-C4' energy: -75.592 flat angles P-C4'-P energy: -54.048 tors. eta vs tors. theta energy: 14.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2029.664911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.664911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.664911 (E_RNA) where: Base-Base interactions energy: -1370.835 where: short stacking energy: -591.955 Base-Backbone interact. energy: -3.739 local terms energy: -655.091240 where: bonds (distance) C4'-P energy: -129.697 bonds (distance) P-C4' energy: -113.212 flat angles C4'-P-C4' energy: -137.291 flat angles P-C4'-P energy: -92.007 tors. eta vs tors. theta energy: -182.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1947.968811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.968811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.968811 (E_RNA) where: Base-Base interactions energy: -1313.069 where: short stacking energy: -559.776 Base-Backbone interact. energy: -5.316 local terms energy: -629.584101 where: bonds (distance) C4'-P energy: -119.428 bonds (distance) P-C4' energy: -116.546 flat angles C4'-P-C4' energy: -134.474 flat angles P-C4'-P energy: -101.833 tors. eta vs tors. theta energy: -157.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1868.334715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.334715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.334715 (E_RNA) where: Base-Base interactions energy: -1256.712 where: short stacking energy: -531.704 Base-Backbone interact. energy: -1.116 local terms energy: -610.505989 where: bonds (distance) C4'-P energy: -117.629 bonds (distance) P-C4' energy: -110.702 flat angles C4'-P-C4' energy: -137.047 flat angles P-C4'-P energy: -84.560 tors. eta vs tors. theta energy: -160.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1718.056535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.056535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.056535 (E_RNA) where: Base-Base interactions energy: -1114.219 where: short stacking energy: -489.608 Base-Backbone interact. energy: -3.898 local terms energy: -599.939990 where: bonds (distance) C4'-P energy: -133.237 bonds (distance) P-C4' energy: -113.845 flat angles C4'-P-C4' energy: -117.879 flat angles P-C4'-P energy: -74.665 tors. eta vs tors. theta energy: -160.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1528.261017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.261017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.261017 (E_RNA) where: Base-Base interactions energy: -1010.283 where: short stacking energy: -417.560 Base-Backbone interact. energy: -2.691 local terms energy: -515.286856 where: bonds (distance) C4'-P energy: -110.485 bonds (distance) P-C4' energy: -117.009 flat angles C4'-P-C4' energy: -114.574 flat angles P-C4'-P energy: -74.403 tors. eta vs tors. theta energy: -98.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1341.421193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.421193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.421193 (E_RNA) where: Base-Base interactions energy: -837.276 where: short stacking energy: -373.250 Base-Backbone interact. energy: 1.559 local terms energy: -505.703876 where: bonds (distance) C4'-P energy: -101.339 bonds (distance) P-C4' energy: -107.955 flat angles C4'-P-C4' energy: -119.956 flat angles P-C4'-P energy: -78.149 tors. eta vs tors. theta energy: -98.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1070.065338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.065338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.065338 (E_RNA) where: Base-Base interactions energy: -645.030 where: short stacking energy: -315.962 Base-Backbone interact. energy: 0.491 local terms energy: -425.526517 where: bonds (distance) C4'-P energy: -103.222 bonds (distance) P-C4' energy: -99.050 flat angles C4'-P-C4' energy: -93.541 flat angles P-C4'-P energy: -77.617 tors. eta vs tors. theta energy: -52.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -682.443787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.443787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.443787 (E_RNA) where: Base-Base interactions energy: -331.551 where: short stacking energy: -181.329 Base-Backbone interact. energy: -2.717 local terms energy: -348.175820 where: bonds (distance) C4'-P energy: -103.825 bonds (distance) P-C4' energy: -87.302 flat angles C4'-P-C4' energy: -95.299 flat angles P-C4'-P energy: -65.153 tors. eta vs tors. theta energy: 3.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -743.606499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.606499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.606499 (E_RNA) where: Base-Base interactions energy: -367.062 where: short stacking energy: -198.655 Base-Backbone interact. energy: -1.463 local terms energy: -375.081154 where: bonds (distance) C4'-P energy: -108.669 bonds (distance) P-C4' energy: -113.787 flat angles C4'-P-C4' energy: -94.060 flat angles P-C4'-P energy: -49.583 tors. eta vs tors. theta energy: -8.982 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: 6 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -456.933105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.933105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.933105 (E_RNA) where: Base-Base interactions energy: -143.766 where: short stacking energy: -122.376 Base-Backbone interact. energy: -2.214 local terms energy: -310.953130 where: bonds (distance) C4'-P energy: -120.163 bonds (distance) P-C4' energy: -117.501 flat angles C4'-P-C4' energy: -54.346 flat angles P-C4'-P energy: -46.917 tors. eta vs tors. theta energy: 27.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2009.629783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.629783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.629783 (E_RNA) where: Base-Base interactions energy: -1355.821 where: short stacking energy: -582.354 Base-Backbone interact. energy: -2.878 local terms energy: -650.930810 where: bonds (distance) C4'-P energy: -123.534 bonds (distance) P-C4' energy: -126.472 flat angles C4'-P-C4' energy: -139.466 flat angles P-C4'-P energy: -88.576 tors. eta vs tors. theta energy: -172.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1932.563161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.563161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.563161 (E_RNA) where: Base-Base interactions energy: -1341.390 where: short stacking energy: -545.749 Base-Backbone interact. energy: -1.280 local terms energy: -589.892527 where: bonds (distance) C4'-P energy: -104.488 bonds (distance) P-C4' energy: -119.169 flat angles C4'-P-C4' energy: -133.498 flat angles P-C4'-P energy: -80.426 tors. eta vs tors. theta energy: -152.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1879.864112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.864112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.864112 (E_RNA) where: Base-Base interactions energy: -1254.032 where: short stacking energy: -551.083 Base-Backbone interact. energy: -6.875 local terms energy: -618.956925 where: bonds (distance) C4'-P energy: -110.592 bonds (distance) P-C4' energy: -134.336 flat angles C4'-P-C4' energy: -125.396 flat angles P-C4'-P energy: -71.794 tors. eta vs tors. theta energy: -176.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1702.571842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.571842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.571842 (E_RNA) where: Base-Base interactions energy: -1142.332 where: short stacking energy: -506.446 Base-Backbone interact. energy: -2.263 local terms energy: -557.977148 where: bonds (distance) C4'-P energy: -102.044 bonds (distance) P-C4' energy: -107.789 flat angles C4'-P-C4' energy: -113.656 flat angles P-C4'-P energy: -85.592 tors. eta vs tors. theta energy: -148.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1555.073782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.073782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.073782 (E_RNA) where: Base-Base interactions energy: -1005.109 where: short stacking energy: -453.961 Base-Backbone interact. energy: -2.452 local terms energy: -547.512413 where: bonds (distance) C4'-P energy: -112.632 bonds (distance) P-C4' energy: -110.987 flat angles C4'-P-C4' energy: -122.888 flat angles P-C4'-P energy: -87.450 tors. eta vs tors. theta energy: -113.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1293.102759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.102759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.102759 (E_RNA) where: Base-Base interactions energy: -811.662 where: short stacking energy: -385.013 Base-Backbone interact. energy: 2.924 local terms energy: -484.365577 where: bonds (distance) C4'-P energy: -95.045 bonds (distance) P-C4' energy: -100.677 flat angles C4'-P-C4' energy: -118.340 flat angles P-C4'-P energy: -80.104 tors. eta vs tors. theta energy: -90.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1062.795410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.795410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.795410 (E_RNA) where: Base-Base interactions energy: -651.137 where: short stacking energy: -321.386 Base-Backbone interact. energy: -0.553 local terms energy: -411.105231 where: bonds (distance) C4'-P energy: -92.459 bonds (distance) P-C4' energy: -105.996 flat angles C4'-P-C4' energy: -103.603 flat angles P-C4'-P energy: -61.424 tors. eta vs tors. theta energy: -47.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -738.711530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.711530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.711530 (E_RNA) where: Base-Base interactions energy: -374.813 where: short stacking energy: -187.602 Base-Backbone interact. energy: 2.393 local terms energy: -366.291705 where: bonds (distance) C4'-P energy: -110.526 bonds (distance) P-C4' energy: -107.230 flat angles C4'-P-C4' energy: -78.693 flat angles P-C4'-P energy: -67.341 tors. eta vs tors. theta energy: -2.502 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: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -669.485187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.485187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.485187 (E_RNA) where: Base-Base interactions energy: -339.157 where: short stacking energy: -200.086 Base-Backbone interact. energy: -1.713 local terms energy: -328.615245 where: bonds (distance) C4'-P energy: -103.323 bonds (distance) P-C4' energy: -78.776 flat angles C4'-P-C4' energy: -94.980 flat angles P-C4'-P energy: -50.985 tors. eta vs tors. theta energy: -0.551 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: 6 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -478.402627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.402627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.402627 (E_RNA) where: Base-Base interactions energy: -158.280 where: short stacking energy: -128.772 Base-Backbone interact. energy: 2.654 local terms energy: -322.776205 where: bonds (distance) C4'-P energy: -95.218 bonds (distance) P-C4' energy: -103.524 flat angles C4'-P-C4' energy: -84.600 flat angles P-C4'-P energy: -44.018 tors. eta vs tors. theta energy: 4.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2001.213260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.213260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.213260 (E_RNA) where: Base-Base interactions energy: -1348.821 where: short stacking energy: -565.936 Base-Backbone interact. energy: -2.726 local terms energy: -649.666259 where: bonds (distance) C4'-P energy: -125.784 bonds (distance) P-C4' energy: -124.366 flat angles C4'-P-C4' energy: -138.883 flat angles P-C4'-P energy: -91.381 tors. eta vs tors. theta energy: -169.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1997.383459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.383459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.383459 (E_RNA) where: Base-Base interactions energy: -1345.662 where: short stacking energy: -576.149 Base-Backbone interact. energy: -5.666 local terms energy: -646.055273 where: bonds (distance) C4'-P energy: -111.080 bonds (distance) P-C4' energy: -133.928 flat angles C4'-P-C4' energy: -134.731 flat angles P-C4'-P energy: -83.877 tors. eta vs tors. theta energy: -182.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1831.678318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.678318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.678318 (E_RNA) where: Base-Base interactions energy: -1226.829 where: short stacking energy: -549.848 Base-Backbone interact. energy: -1.107 local terms energy: -603.742373 where: bonds (distance) C4'-P energy: -108.191 bonds (distance) P-C4' energy: -115.387 flat angles C4'-P-C4' energy: -127.537 flat angles P-C4'-P energy: -89.347 tors. eta vs tors. theta energy: -163.280 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: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1694.479557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.479557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.479557 (E_RNA) where: Base-Base interactions energy: -1132.234 where: short stacking energy: -491.684 Base-Backbone interact. energy: -2.610 local terms energy: -559.636031 where: bonds (distance) C4'-P energy: -95.110 bonds (distance) P-C4' energy: -114.955 flat angles C4'-P-C4' energy: -120.502 flat angles P-C4'-P energy: -72.958 tors. eta vs tors. theta energy: -156.111 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: 5, replica: 1 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1564.440462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.440462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.440462 (E_RNA) where: Base-Base interactions energy: -1015.918 where: short stacking energy: -448.302 Base-Backbone interact. energy: 0.353 local terms energy: -548.876134 where: bonds (distance) C4'-P energy: -101.598 bonds (distance) P-C4' energy: -106.319 flat angles C4'-P-C4' energy: -133.820 flat angles P-C4'-P energy: -79.536 tors. eta vs tors. theta energy: -127.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1218.529377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.529377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.529377 (E_RNA) where: Base-Base interactions energy: -787.223 where: short stacking energy: -338.867 Base-Backbone interact. energy: -5.755 local terms energy: -425.551969 where: bonds (distance) C4'-P energy: -83.270 bonds (distance) P-C4' energy: -107.352 flat angles C4'-P-C4' energy: -103.244 flat angles P-C4'-P energy: -69.312 tors. eta vs tors. theta energy: -62.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1051.432264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.432264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.432264 (E_RNA) where: Base-Base interactions energy: -663.743 where: short stacking energy: -294.545 Base-Backbone interact. energy: -2.371 local terms energy: -385.318646 where: bonds (distance) C4'-P energy: -107.124 bonds (distance) P-C4' energy: -88.725 flat angles C4'-P-C4' energy: -95.260 flat angles P-C4'-P energy: -48.175 tors. eta vs tors. theta energy: -46.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -753.882956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.882956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.882956 (E_RNA) where: Base-Base interactions energy: -380.785 where: short stacking energy: -205.109 Base-Backbone interact. energy: -2.346 local terms energy: -370.751592 where: bonds (distance) C4'-P energy: -99.362 bonds (distance) P-C4' energy: -108.264 flat angles C4'-P-C4' energy: -97.574 flat angles P-C4'-P energy: -47.801 tors. eta vs tors. theta energy: -17.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -646.989387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.989387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.989387 (E_RNA) where: Base-Base interactions energy: -308.442 where: short stacking energy: -188.899 Base-Backbone interact. energy: -3.638 local terms energy: -334.909671 where: bonds (distance) C4'-P energy: -91.316 bonds (distance) P-C4' energy: -96.615 flat angles C4'-P-C4' energy: -93.185 flat angles P-C4'-P energy: -50.803 tors. eta vs tors. theta energy: -2.991 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: 6 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -522.065693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.065693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.065693 (E_RNA) where: Base-Base interactions energy: -172.898 where: short stacking energy: -134.717 Base-Backbone interact. energy: 3.038 local terms energy: -352.206083 where: bonds (distance) C4'-P energy: -109.483 bonds (distance) P-C4' energy: -103.807 flat angles C4'-P-C4' energy: -81.172 flat angles P-C4'-P energy: -78.083 tors. eta vs tors. theta energy: 20.339 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: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1999.869533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.869533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.869533 (E_RNA) where: Base-Base interactions energy: -1375.921 where: short stacking energy: -565.803 Base-Backbone interact. energy: -2.177 local terms energy: -621.771843 where: bonds (distance) C4'-P energy: -113.617 bonds (distance) P-C4' energy: -122.420 flat angles C4'-P-C4' energy: -127.161 flat angles P-C4'-P energy: -93.864 tors. eta vs tors. theta energy: -164.709 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: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1996.492477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.492477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.492477 (E_RNA) where: Base-Base interactions energy: -1360.062 where: short stacking energy: -557.186 Base-Backbone interact. energy: -0.125 local terms energy: -636.306097 where: bonds (distance) C4'-P energy: -118.332 bonds (distance) P-C4' energy: -123.159 flat angles C4'-P-C4' energy: -131.263 flat angles P-C4'-P energy: -88.194 tors. eta vs tors. theta energy: -175.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1792.394988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.394988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.394988 (E_RNA) where: Base-Base interactions energy: -1207.479 where: short stacking energy: -531.108 Base-Backbone interact. energy: -3.109 local terms energy: -581.806464 where: bonds (distance) C4'-P energy: -113.261 bonds (distance) P-C4' energy: -108.190 flat angles C4'-P-C4' energy: -126.620 flat angles P-C4'-P energy: -80.848 tors. eta vs tors. theta energy: -152.887 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: 97 Temperature: 1.050000 Total energy: -1710.317532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.317532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.317532 (E_RNA) where: Base-Base interactions energy: -1137.000 where: short stacking energy: -479.894 Base-Backbone interact. energy: -4.339 local terms energy: -568.978409 where: bonds (distance) C4'-P energy: -104.504 bonds (distance) P-C4' energy: -130.027 flat angles C4'-P-C4' energy: -115.146 flat angles P-C4'-P energy: -83.223 tors. eta vs tors. theta energy: -136.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1545.361153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.361153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.361153 (E_RNA) where: Base-Base interactions energy: -1005.608 where: short stacking energy: -420.919 Base-Backbone interact. energy: -1.621 local terms energy: -538.132866 where: bonds (distance) C4'-P energy: -107.052 bonds (distance) P-C4' energy: -112.195 flat angles C4'-P-C4' energy: -111.193 flat angles P-C4'-P energy: -86.976 tors. eta vs tors. theta energy: -120.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1213.121468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.121468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.121468 (E_RNA) where: Base-Base interactions energy: -766.664 where: short stacking energy: -374.919 Base-Backbone interact. energy: 1.973 local terms energy: -448.429845 where: bonds (distance) C4'-P energy: -81.037 bonds (distance) P-C4' energy: -130.070 flat angles C4'-P-C4' energy: -94.936 flat angles P-C4'-P energy: -66.077 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: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -988.761000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.761000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.761000 (E_RNA) where: Base-Base interactions energy: -566.858 where: short stacking energy: -275.629 Base-Backbone interact. energy: 1.894 local terms energy: -423.796993 where: bonds (distance) C4'-P energy: -106.285 bonds (distance) P-C4' energy: -97.040 flat angles C4'-P-C4' energy: -108.158 flat angles P-C4'-P energy: -74.369 tors. eta vs tors. theta energy: -37.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -757.372677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.372677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.372677 (E_RNA) where: Base-Base interactions energy: -371.379 where: short stacking energy: -218.072 Base-Backbone interact. energy: -1.238 local terms energy: -384.755126 where: bonds (distance) C4'-P energy: -96.643 bonds (distance) P-C4' energy: -110.179 flat angles C4'-P-C4' energy: -90.231 flat angles P-C4'-P energy: -68.952 tors. eta vs tors. theta energy: -18.749 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: 8 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -627.872838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.872838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.872838 (E_RNA) where: Base-Base interactions energy: -287.477 where: short stacking energy: -176.254 Base-Backbone interact. energy: 1.145 local terms energy: -341.540461 where: bonds (distance) C4'-P energy: -92.597 bonds (distance) P-C4' energy: -102.312 flat angles C4'-P-C4' energy: -87.854 flat angles P-C4'-P energy: -55.926 tors. eta vs tors. theta energy: -2.852 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: 10, replica: 6 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -566.310650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.310650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.310650 (E_RNA) where: Base-Base interactions energy: -238.620 where: short stacking energy: -140.847 Base-Backbone interact. energy: -0.200 local terms energy: -327.490850 where: bonds (distance) C4'-P energy: -91.359 bonds (distance) P-C4' energy: -109.035 flat angles C4'-P-C4' energy: -94.489 flat angles P-C4'-P energy: -53.067 tors. eta vs tors. theta energy: 20.459 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: 10 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1997.434518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.434518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.434518 (E_RNA) where: Base-Base interactions energy: -1361.128 where: short stacking energy: -575.918 Base-Backbone interact. energy: -4.298 local terms energy: -632.009387 where: bonds (distance) C4'-P energy: -108.445 bonds (distance) P-C4' energy: -131.330 flat angles C4'-P-C4' energy: -120.254 flat angles P-C4'-P energy: -91.501 tors. eta vs tors. theta energy: -180.480 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: 7 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1988.691540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.691540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.691540 (E_RNA) where: Base-Base interactions energy: -1350.831 where: short stacking energy: -588.417 Base-Backbone interact. energy: -4.275 local terms energy: -633.585503 where: bonds (distance) C4'-P energy: -121.015 bonds (distance) P-C4' energy: -114.710 flat angles C4'-P-C4' energy: -137.107 flat angles P-C4'-P energy: -78.908 tors. eta vs tors. theta energy: -181.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1812.517209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.517209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.517209 (E_RNA) where: Base-Base interactions energy: -1209.495 where: short stacking energy: -530.422 Base-Backbone interact. energy: 2.134 local terms energy: -605.156493 where: bonds (distance) C4'-P energy: -119.175 bonds (distance) P-C4' energy: -121.681 flat angles C4'-P-C4' energy: -133.362 flat angles P-C4'-P energy: -83.558 tors. eta vs tors. theta energy: -147.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1695.396524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.396524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.396524 (E_RNA) where: Base-Base interactions energy: -1117.417 where: short stacking energy: -473.783 Base-Backbone interact. energy: -1.901 local terms energy: -576.079242 where: bonds (distance) C4'-P energy: -95.797 bonds (distance) P-C4' energy: -121.641 flat angles C4'-P-C4' energy: -130.425 flat angles P-C4'-P energy: -85.684 tors. eta vs tors. theta energy: -142.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1514.039723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.039723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.039723 (E_RNA) where: Base-Base interactions energy: -995.592 where: short stacking energy: -439.738 Base-Backbone interact. energy: -2.728 local terms energy: -515.719729 where: bonds (distance) C4'-P energy: -107.161 bonds (distance) P-C4' energy: -107.370 flat angles C4'-P-C4' energy: -114.142 flat angles P-C4'-P energy: -80.984 tors. eta vs tors. theta energy: -106.063 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: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1259.026705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.026705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.026705 (E_RNA) where: Base-Base interactions energy: -783.487 where: short stacking energy: -377.974 Base-Backbone interact. energy: -1.128 local terms energy: -474.412447 where: bonds (distance) C4'-P energy: -104.991 bonds (distance) P-C4' energy: -122.061 flat angles C4'-P-C4' energy: -97.465 flat angles P-C4'-P energy: -71.345 tors. eta vs tors. theta energy: -78.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1124.757763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.757763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.757763 (E_RNA) where: Base-Base interactions energy: -691.261 where: short stacking energy: -297.212 Base-Backbone interact. energy: -2.056 local terms energy: -431.440147 where: bonds (distance) C4'-P energy: -102.780 bonds (distance) P-C4' energy: -111.852 flat angles C4'-P-C4' energy: -109.771 flat angles P-C4'-P energy: -65.476 tors. eta vs tors. theta energy: -41.561 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: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -727.841808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.841808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.841808 (E_RNA) where: Base-Base interactions energy: -383.819 where: short stacking energy: -203.255 Base-Backbone interact. energy: 2.403 local terms energy: -346.425862 where: bonds (distance) C4'-P energy: -108.056 bonds (distance) P-C4' energy: -86.881 flat angles C4'-P-C4' energy: -96.281 flat angles P-C4'-P energy: -50.998 tors. eta vs tors. theta energy: -4.210 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: 6 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -589.650135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.650135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.650135 (E_RNA) where: Base-Base interactions energy: -263.069 where: short stacking energy: -153.588 Base-Backbone interact. energy: -1.194 local terms energy: -325.387588 where: bonds (distance) C4'-P energy: -102.363 bonds (distance) P-C4' energy: -101.181 flat angles C4'-P-C4' energy: -73.809 flat angles P-C4'-P energy: -56.851 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: 10, replica: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -557.774027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.774027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.774027 (E_RNA) where: Base-Base interactions energy: -241.287 where: short stacking energy: -143.726 Base-Backbone interact. energy: 7.766 local terms energy: -324.252808 where: bonds (distance) C4'-P energy: -104.725 bonds (distance) P-C4' energy: -99.624 flat angles C4'-P-C4' energy: -74.993 flat angles P-C4'-P energy: -53.216 tors. eta vs tors. theta energy: 8.305 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: 10 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2011.784871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.784871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.784871 (E_RNA) where: Base-Base interactions energy: -1355.540 where: short stacking energy: -576.438 Base-Backbone interact. energy: -2.206 local terms energy: -654.039211 where: bonds (distance) C4'-P energy: -99.435 bonds (distance) P-C4' energy: -142.437 flat angles C4'-P-C4' energy: -149.732 flat angles P-C4'-P energy: -88.965 tors. eta vs tors. theta energy: -173.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1973.658690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.658690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.658690 (E_RNA) where: Base-Base interactions energy: -1328.316 where: short stacking energy: -583.147 Base-Backbone interact. energy: -3.783 local terms energy: -641.559771 where: bonds (distance) C4'-P energy: -114.570 bonds (distance) P-C4' energy: -129.771 flat angles C4'-P-C4' energy: -132.396 flat angles P-C4'-P energy: -93.597 tors. eta vs tors. theta energy: -171.227 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: 3, replica: 5 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1827.232223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.232223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.232223 (E_RNA) where: Base-Base interactions energy: -1242.033 where: short stacking energy: -489.382 Base-Backbone interact. energy: -3.140 local terms energy: -582.058747 where: bonds (distance) C4'-P energy: -110.345 bonds (distance) P-C4' energy: -115.204 flat angles C4'-P-C4' energy: -118.845 flat angles P-C4'-P energy: -76.911 tors. eta vs tors. theta energy: -160.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1699.357279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.357279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.357279 (E_RNA) where: Base-Base interactions energy: -1143.800 where: short stacking energy: -511.160 Base-Backbone interact. energy: -1.476 local terms energy: -554.081208 where: bonds (distance) C4'-P energy: -106.938 bonds (distance) P-C4' energy: -106.630 flat angles C4'-P-C4' energy: -122.861 flat angles P-C4'-P energy: -80.149 tors. eta vs tors. theta energy: -137.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1554.802023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.802023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.802023 (E_RNA) where: Base-Base interactions energy: -1032.169 where: short stacking energy: -447.125 Base-Backbone interact. energy: 0.691 local terms energy: -523.323861 where: bonds (distance) C4'-P energy: -108.386 bonds (distance) P-C4' energy: -116.755 flat angles C4'-P-C4' energy: -121.794 flat angles P-C4'-P energy: -57.311 tors. eta vs tors. theta energy: -119.079 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: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1277.541170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.541170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.541170 (E_RNA) where: Base-Base interactions energy: -792.925 where: short stacking energy: -366.839 Base-Backbone interact. energy: -1.580 local terms energy: -483.036042 where: bonds (distance) C4'-P energy: -103.706 bonds (distance) P-C4' energy: -110.862 flat angles C4'-P-C4' energy: -115.381 flat angles P-C4'-P energy: -56.918 tors. eta vs tors. theta energy: -96.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1109.892294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.892294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.892294 (E_RNA) where: Base-Base interactions energy: -658.686 where: short stacking energy: -291.358 Base-Backbone interact. energy: 3.014 local terms energy: -454.220352 where: bonds (distance) C4'-P energy: -116.100 bonds (distance) P-C4' energy: -114.076 flat angles C4'-P-C4' energy: -101.873 flat angles P-C4'-P energy: -61.026 tors. eta vs tors. theta energy: -61.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -725.636521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.636521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.636521 (E_RNA) where: Base-Base interactions energy: -356.743 where: short stacking energy: -217.331 Base-Backbone interact. energy: -2.518 local terms energy: -366.375921 where: bonds (distance) C4'-P energy: -97.331 bonds (distance) P-C4' energy: -98.018 flat angles C4'-P-C4' energy: -84.247 flat angles P-C4'-P energy: -61.807 tors. eta vs tors. theta energy: -24.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -561.131133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.131133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.131133 (E_RNA) where: Base-Base interactions energy: -243.433 where: short stacking energy: -154.618 Base-Backbone interact. energy: -3.017 local terms energy: -314.681720 where: bonds (distance) C4'-P energy: -89.278 bonds (distance) P-C4' energy: -93.500 flat angles C4'-P-C4' energy: -97.454 flat angles P-C4'-P energy: -41.409 tors. eta vs tors. theta energy: 6.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -521.950283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.950283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.950283 (E_RNA) where: Base-Base interactions energy: -198.112 where: short stacking energy: -129.864 Base-Backbone interact. energy: 4.946 local terms energy: -328.783786 where: bonds (distance) C4'-P energy: -104.369 bonds (distance) P-C4' energy: -114.452 flat angles C4'-P-C4' energy: -78.663 flat angles P-C4'-P energy: -57.494 tors. eta vs tors. theta energy: 26.194 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: 10 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2036.501812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.501812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.501812 (E_RNA) where: Base-Base interactions energy: -1400.207 where: short stacking energy: -599.456 Base-Backbone interact. energy: 1.811 local terms energy: -638.106008 where: bonds (distance) C4'-P energy: -122.560 bonds (distance) P-C4' energy: -109.254 flat angles C4'-P-C4' energy: -140.587 flat angles P-C4'-P energy: -92.303 tors. eta vs tors. theta energy: -173.402 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: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1949.209869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.209869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.209869 (E_RNA) where: Base-Base interactions energy: -1321.268 where: short stacking energy: -547.721 Base-Backbone interact. energy: -4.398 local terms energy: -623.543792 where: bonds (distance) C4'-P energy: -112.315 bonds (distance) P-C4' energy: -125.095 flat angles C4'-P-C4' energy: -139.657 flat angles P-C4'-P energy: -80.839 tors. eta vs tors. theta energy: -165.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1849.142300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.142300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.142300 (E_RNA) where: Base-Base interactions energy: -1235.610 where: short stacking energy: -525.775 Base-Backbone interact. energy: -3.195 local terms energy: -610.338049 where: bonds (distance) C4'-P energy: -111.524 bonds (distance) P-C4' energy: -123.444 flat angles C4'-P-C4' energy: -138.117 flat angles P-C4'-P energy: -67.328 tors. eta vs tors. theta energy: -169.925 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: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1700.229872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.229872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.229872 (E_RNA) where: Base-Base interactions energy: -1124.928 where: short stacking energy: -471.815 Base-Backbone interact. energy: -1.777 local terms energy: -573.525562 where: bonds (distance) C4'-P energy: -113.766 bonds (distance) P-C4' energy: -119.091 flat angles C4'-P-C4' energy: -117.227 flat angles P-C4'-P energy: -83.863 tors. eta vs tors. theta energy: -139.578 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: 1 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1606.838187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.838187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.838187 (E_RNA) where: Base-Base interactions energy: -1049.074 where: short stacking energy: -493.691 Base-Backbone interact. energy: -1.964 local terms energy: -555.799551 where: bonds (distance) C4'-P energy: -93.989 bonds (distance) P-C4' energy: -116.615 flat angles C4'-P-C4' energy: -124.394 flat angles P-C4'-P energy: -72.579 tors. eta vs tors. theta energy: -148.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1240.337867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.337867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.337867 (E_RNA) where: Base-Base interactions energy: -800.165 where: short stacking energy: -372.896 Base-Backbone interact. energy: -4.572 local terms energy: -435.600422 where: bonds (distance) C4'-P energy: -98.161 bonds (distance) P-C4' energy: -101.266 flat angles C4'-P-C4' energy: -107.236 flat angles P-C4'-P energy: -55.065 tors. eta vs tors. theta energy: -73.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1195.481928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.481928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.481928 (E_RNA) where: Base-Base interactions energy: -744.318 where: short stacking energy: -338.805 Base-Backbone interact. energy: 2.310 local terms energy: -453.474007 where: bonds (distance) C4'-P energy: -98.304 bonds (distance) P-C4' energy: -105.497 flat angles C4'-P-C4' energy: -101.898 flat angles P-C4'-P energy: -67.949 tors. eta vs tors. theta energy: -79.826 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: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -727.390679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.390679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.390679 (E_RNA) where: Base-Base interactions energy: -359.133 where: short stacking energy: -221.090 Base-Backbone interact. energy: 1.121 local terms energy: -369.378912 where: bonds (distance) C4'-P energy: -97.660 bonds (distance) P-C4' energy: -104.237 flat angles C4'-P-C4' energy: -85.507 flat angles P-C4'-P energy: -69.097 tors. eta vs tors. theta energy: -12.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -582.731631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.731631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.731631 (E_RNA) where: Base-Base interactions energy: -242.591 where: short stacking energy: -157.499 Base-Backbone interact. energy: 1.244 local terms energy: -341.384356 where: bonds (distance) C4'-P energy: -111.752 bonds (distance) P-C4' energy: -101.526 flat angles C4'-P-C4' energy: -71.731 flat angles P-C4'-P energy: -52.519 tors. eta vs tors. theta energy: -3.856 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: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -591.256252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.256252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.256252 (E_RNA) where: Base-Base interactions energy: -246.294 where: short stacking energy: -160.665 Base-Backbone interact. energy: -1.139 local terms energy: -343.823892 where: bonds (distance) C4'-P energy: -100.795 bonds (distance) P-C4' energy: -105.464 flat angles C4'-P-C4' energy: -96.011 flat angles P-C4'-P energy: -45.788 tors. eta vs tors. theta energy: 4.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2040.367021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.367021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.367021 (E_RNA) where: Base-Base interactions energy: -1389.872 where: short stacking energy: -604.436 Base-Backbone interact. energy: -2.795 local terms energy: -647.700072 where: bonds (distance) C4'-P energy: -123.057 bonds (distance) P-C4' energy: -110.883 flat angles C4'-P-C4' energy: -137.345 flat angles P-C4'-P energy: -85.555 tors. eta vs tors. theta energy: -190.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1938.235932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.235932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.235932 (E_RNA) where: Base-Base interactions energy: -1313.726 where: short stacking energy: -550.559 Base-Backbone interact. energy: -3.086 local terms energy: -621.424443 where: bonds (distance) C4'-P energy: -124.927 bonds (distance) P-C4' energy: -110.703 flat angles C4'-P-C4' energy: -138.088 flat angles P-C4'-P energy: -86.897 tors. eta vs tors. theta energy: -160.809 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: 101 Temperature: 1.000000 Total energy: -1833.829857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.829857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.829857 (E_RNA) where: Base-Base interactions energy: -1233.897 where: short stacking energy: -552.803 Base-Backbone interact. energy: -3.028 local terms energy: -596.904504 where: bonds (distance) C4'-P energy: -103.853 bonds (distance) P-C4' energy: -107.921 flat angles C4'-P-C4' energy: -132.547 flat angles P-C4'-P energy: -93.382 tors. eta vs tors. theta energy: -159.202 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: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1684.100610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.100610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.100610 (E_RNA) where: Base-Base interactions energy: -1102.818 where: short stacking energy: -474.920 Base-Backbone interact. energy: -6.072 local terms energy: -575.211206 where: bonds (distance) C4'-P energy: -113.921 bonds (distance) P-C4' energy: -113.110 flat angles C4'-P-C4' energy: -126.116 flat angles P-C4'-P energy: -78.688 tors. eta vs tors. theta energy: -143.377 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: 1 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1597.187499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.187499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.187499 (E_RNA) where: Base-Base interactions energy: -1068.414 where: short stacking energy: -432.851 Base-Backbone interact. energy: -1.004 local terms energy: -527.769465 where: bonds (distance) C4'-P energy: -105.922 bonds (distance) P-C4' energy: -120.562 flat angles C4'-P-C4' energy: -109.772 flat angles P-C4'-P energy: -72.412 tors. eta vs tors. theta energy: -119.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1278.265345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.265345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.265345 (E_RNA) where: Base-Base interactions energy: -788.989 where: short stacking energy: -366.509 Base-Backbone interact. energy: -1.127 local terms energy: -488.148957 where: bonds (distance) C4'-P energy: -96.516 bonds (distance) P-C4' energy: -104.951 flat angles C4'-P-C4' energy: -121.755 flat angles P-C4'-P energy: -71.030 tors. eta vs tors. theta energy: -93.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1150.973690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.973690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.973690 (E_RNA) where: Base-Base interactions energy: -683.786 where: short stacking energy: -326.953 Base-Backbone interact. energy: -2.574 local terms energy: -464.613819 where: bonds (distance) C4'-P energy: -110.755 bonds (distance) P-C4' energy: -112.620 flat angles C4'-P-C4' energy: -92.751 flat angles P-C4'-P energy: -78.443 tors. eta vs tors. theta energy: -70.046 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: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -699.063620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.063620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.063620 (E_RNA) where: Base-Base interactions energy: -315.319 where: short stacking energy: -178.908 Base-Backbone interact. energy: 4.619 local terms energy: -388.363409 where: bonds (distance) C4'-P energy: -118.750 bonds (distance) P-C4' energy: -102.596 flat angles C4'-P-C4' energy: -92.744 flat angles P-C4'-P energy: -67.769 tors. eta vs tors. theta energy: -6.504 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: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -684.463230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.463230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.463230 (E_RNA) where: Base-Base interactions energy: -311.923 where: short stacking energy: -188.931 Base-Backbone interact. energy: -2.076 local terms energy: -370.463761 where: bonds (distance) C4'-P energy: -95.256 bonds (distance) P-C4' energy: -104.252 flat angles C4'-P-C4' energy: -98.004 flat angles P-C4'-P energy: -66.411 tors. eta vs tors. theta energy: -6.541 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: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -545.527795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.527795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.527795 (E_RNA) where: Base-Base interactions energy: -240.827 where: short stacking energy: -157.271 Base-Backbone interact. energy: -0.057 local terms energy: -304.643890 where: bonds (distance) C4'-P energy: -93.759 bonds (distance) P-C4' energy: -109.169 flat angles C4'-P-C4' energy: -86.044 flat angles P-C4'-P energy: -50.779 tors. eta vs tors. theta energy: 35.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2055.205235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.205235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.205235 (E_RNA) where: Base-Base interactions energy: -1398.665 where: short stacking energy: -583.328 Base-Backbone interact. energy: -1.469 local terms energy: -655.070917 where: bonds (distance) C4'-P energy: -135.558 bonds (distance) P-C4' energy: -112.251 flat angles C4'-P-C4' energy: -141.291 flat angles P-C4'-P energy: -83.568 tors. eta vs tors. theta energy: -182.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1985.701209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.701209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.701209 (E_RNA) where: Base-Base interactions energy: -1358.842 where: short stacking energy: -591.883 Base-Backbone interact. energy: -3.124 local terms energy: -623.735378 where: bonds (distance) C4'-P energy: -102.509 bonds (distance) P-C4' energy: -121.934 flat angles C4'-P-C4' energy: -117.659 flat angles P-C4'-P energy: -102.598 tors. eta vs tors. theta energy: -179.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1885.666242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.666242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.666242 (E_RNA) where: Base-Base interactions energy: -1261.584 where: short stacking energy: -536.942 Base-Backbone interact. energy: -2.182 local terms energy: -621.900140 where: bonds (distance) C4'-P energy: -114.641 bonds (distance) P-C4' energy: -118.092 flat angles C4'-P-C4' energy: -131.764 flat angles P-C4'-P energy: -79.317 tors. eta vs tors. theta energy: -178.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1669.273861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.273861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.273861 (E_RNA) where: Base-Base interactions energy: -1104.218 where: short stacking energy: -489.354 Base-Backbone interact. energy: -2.747 local terms energy: -562.308658 where: bonds (distance) C4'-P energy: -118.530 bonds (distance) P-C4' energy: -107.773 flat angles C4'-P-C4' energy: -120.319 flat angles P-C4'-P energy: -82.019 tors. eta vs tors. theta energy: -133.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1573.365045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.365045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.365045 (E_RNA) where: Base-Base interactions energy: -1053.265 where: short stacking energy: -487.457 Base-Backbone interact. energy: 3.492 local terms energy: -523.592424 where: bonds (distance) C4'-P energy: -108.868 bonds (distance) P-C4' energy: -93.356 flat angles C4'-P-C4' energy: -119.202 flat angles P-C4'-P energy: -74.681 tors. eta vs tors. theta energy: -127.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1334.449199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.449199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.449199 (E_RNA) where: Base-Base interactions energy: -833.460 where: short stacking energy: -369.642 Base-Backbone interact. energy: -1.132 local terms energy: -499.857573 where: bonds (distance) C4'-P energy: -114.527 bonds (distance) P-C4' energy: -107.728 flat angles C4'-P-C4' energy: -117.368 flat angles P-C4'-P energy: -68.618 tors. eta vs tors. theta energy: -91.617 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: 2 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1099.328760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.328760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.328760 (E_RNA) where: Base-Base interactions energy: -670.612 where: short stacking energy: -282.789 Base-Backbone interact. energy: -2.406 local terms energy: -426.310299 where: bonds (distance) C4'-P energy: -99.034 bonds (distance) P-C4' energy: -120.285 flat angles C4'-P-C4' energy: -103.916 flat angles P-C4'-P energy: -58.884 tors. eta vs tors. theta energy: -44.192 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: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -708.220422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.220422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.220422 (E_RNA) where: Base-Base interactions energy: -351.245 where: short stacking energy: -180.644 Base-Backbone interact. energy: -0.108 local terms energy: -356.867791 where: bonds (distance) C4'-P energy: -99.485 bonds (distance) P-C4' energy: -112.222 flat angles C4'-P-C4' energy: -85.826 flat angles P-C4'-P energy: -42.945 tors. eta vs tors. theta energy: -16.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -691.385319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.385319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.385319 (E_RNA) where: Base-Base interactions energy: -327.857 where: short stacking energy: -195.032 Base-Backbone interact. energy: 0.584 local terms energy: -364.112016 where: bonds (distance) C4'-P energy: -110.448 bonds (distance) P-C4' energy: -111.340 flat angles C4'-P-C4' energy: -93.222 flat angles P-C4'-P energy: -47.674 tors. eta vs tors. theta energy: -1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -495.618218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.618218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.618218 (E_RNA) where: Base-Base interactions energy: -216.427 where: short stacking energy: -130.290 Base-Backbone interact. energy: -2.675 local terms energy: -276.516488 where: bonds (distance) C4'-P energy: -91.797 bonds (distance) P-C4' energy: -96.049 flat angles C4'-P-C4' energy: -81.561 flat angles P-C4'-P energy: -40.735 tors. eta vs tors. theta energy: 33.625 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: 10 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2034.721977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.721977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.721977 (E_RNA) where: Base-Base interactions energy: -1391.360 where: short stacking energy: -578.140 Base-Backbone interact. energy: -2.540 local terms energy: -640.821987 where: bonds (distance) C4'-P energy: -123.393 bonds (distance) P-C4' energy: -126.379 flat angles C4'-P-C4' energy: -140.145 flat angles P-C4'-P energy: -76.051 tors. eta vs tors. theta energy: -174.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1937.103647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.103647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.103647 (E_RNA) where: Base-Base interactions energy: -1277.534 where: short stacking energy: -565.659 Base-Backbone interact. energy: -3.889 local terms energy: -655.680106 where: bonds (distance) C4'-P energy: -127.252 bonds (distance) P-C4' energy: -122.488 flat angles C4'-P-C4' energy: -135.320 flat angles P-C4'-P energy: -93.153 tors. eta vs tors. theta energy: -177.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1866.238531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.238531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.238531 (E_RNA) where: Base-Base interactions energy: -1242.253 where: short stacking energy: -550.426 Base-Backbone interact. energy: -2.401 local terms energy: -621.584792 where: bonds (distance) C4'-P energy: -124.340 bonds (distance) P-C4' energy: -112.371 flat angles C4'-P-C4' energy: -130.195 flat angles P-C4'-P energy: -78.900 tors. eta vs tors. theta energy: -175.778 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: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1713.006988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.006988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.006988 (E_RNA) where: Base-Base interactions energy: -1143.113 where: short stacking energy: -495.350 Base-Backbone interact. energy: -2.414 local terms energy: -567.480028 where: bonds (distance) C4'-P energy: -120.491 bonds (distance) P-C4' energy: -118.284 flat angles C4'-P-C4' energy: -125.323 flat angles P-C4'-P energy: -68.547 tors. eta vs tors. theta energy: -134.835 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: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1579.462531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.462531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.462531 (E_RNA) where: Base-Base interactions energy: -1068.091 where: short stacking energy: -459.842 Base-Backbone interact. energy: 3.721 local terms energy: -515.092404 where: bonds (distance) C4'-P energy: -93.845 bonds (distance) P-C4' energy: -110.569 flat angles C4'-P-C4' energy: -113.351 flat angles P-C4'-P energy: -66.141 tors. eta vs tors. theta energy: -131.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1359.610370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.610370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.610370 (E_RNA) where: Base-Base interactions energy: -885.116 where: short stacking energy: -364.805 Base-Backbone interact. energy: -2.615 local terms energy: -471.879218 where: bonds (distance) C4'-P energy: -96.674 bonds (distance) P-C4' energy: -106.979 flat angles C4'-P-C4' energy: -106.799 flat angles P-C4'-P energy: -66.740 tors. eta vs tors. theta energy: -94.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1099.860856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.860856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.860856 (E_RNA) where: Base-Base interactions energy: -663.983 where: short stacking energy: -302.112 Base-Backbone interact. energy: 7.002 local terms energy: -442.879250 where: bonds (distance) C4'-P energy: -95.487 bonds (distance) P-C4' energy: -111.478 flat angles C4'-P-C4' energy: -104.519 flat angles P-C4'-P energy: -70.403 tors. eta vs tors. theta energy: -60.993 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: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -659.827670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.827670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.827670 (E_RNA) where: Base-Base interactions energy: -335.352 where: short stacking energy: -206.590 Base-Backbone interact. energy: 1.640 local terms energy: -326.115443 where: bonds (distance) C4'-P energy: -67.560 bonds (distance) P-C4' energy: -104.780 flat angles C4'-P-C4' energy: -100.035 flat angles P-C4'-P energy: -62.973 tors. eta vs tors. theta energy: 9.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -678.773960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.773960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.773960 (E_RNA) where: Base-Base interactions energy: -315.928 where: short stacking energy: -207.315 Base-Backbone interact. energy: 1.784 local terms energy: -364.629946 where: bonds (distance) C4'-P energy: -107.990 bonds (distance) P-C4' energy: -110.910 flat angles C4'-P-C4' energy: -93.158 flat angles P-C4'-P energy: -43.275 tors. eta vs tors. theta energy: -9.296 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: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -476.854648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.854648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.854648 (E_RNA) where: Base-Base interactions energy: -165.505 where: short stacking energy: -153.566 Base-Backbone interact. energy: -0.851 local terms energy: -310.498233 where: bonds (distance) C4'-P energy: -100.452 bonds (distance) P-C4' energy: -94.810 flat angles C4'-P-C4' energy: -66.390 flat angles P-C4'-P energy: -44.955 tors. eta vs tors. theta energy: -3.891 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: 10 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2018.621648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.621648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.621648 (E_RNA) where: Base-Base interactions energy: -1359.973 where: short stacking energy: -600.477 Base-Backbone interact. energy: -3.915 local terms energy: -654.733171 where: bonds (distance) C4'-P energy: -115.756 bonds (distance) P-C4' energy: -121.892 flat angles C4'-P-C4' energy: -140.349 flat angles P-C4'-P energy: -94.344 tors. eta vs tors. theta energy: -182.392 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: 2, replica: 7 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1938.004165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.004165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.004165 (E_RNA) where: Base-Base interactions energy: -1304.015 where: short stacking energy: -566.335 Base-Backbone interact. energy: -3.101 local terms energy: -630.887933 where: bonds (distance) C4'-P energy: -120.619 bonds (distance) P-C4' energy: -120.206 flat angles C4'-P-C4' energy: -130.162 flat angles P-C4'-P energy: -88.614 tors. eta vs tors. theta energy: -171.287 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: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1881.876580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.876580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.876580 (E_RNA) where: Base-Base interactions energy: -1264.360 where: short stacking energy: -533.161 Base-Backbone interact. energy: -2.387 local terms energy: -615.129002 where: bonds (distance) C4'-P energy: -121.342 bonds (distance) P-C4' energy: -113.386 flat angles C4'-P-C4' energy: -129.415 flat angles P-C4'-P energy: -86.286 tors. eta vs tors. theta energy: -164.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1694.517917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.517917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.517917 (E_RNA) where: Base-Base interactions energy: -1108.176 where: short stacking energy: -507.899 Base-Backbone interact. energy: 1.362 local terms energy: -587.703821 where: bonds (distance) C4'-P energy: -118.414 bonds (distance) P-C4' energy: -117.290 flat angles C4'-P-C4' energy: -125.453 flat angles P-C4'-P energy: -83.898 tors. eta vs tors. theta energy: -142.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1540.510732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.510732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.510732 (E_RNA) where: Base-Base interactions energy: -993.302 where: short stacking energy: -471.101 Base-Backbone interact. energy: -2.305 local terms energy: -544.903702 where: bonds (distance) C4'-P energy: -93.011 bonds (distance) P-C4' energy: -118.275 flat angles C4'-P-C4' energy: -122.340 flat angles P-C4'-P energy: -83.066 tors. eta vs tors. theta energy: -128.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1410.002887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.002887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.002887 (E_RNA) where: Base-Base interactions energy: -953.251 where: short stacking energy: -407.177 Base-Backbone interact. energy: 1.752 local terms energy: -458.503861 where: bonds (distance) C4'-P energy: -94.900 bonds (distance) P-C4' energy: -102.484 flat angles C4'-P-C4' energy: -104.103 flat angles P-C4'-P energy: -66.732 tors. eta vs tors. theta energy: -90.284 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: 7, replica: 2 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1143.325579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.325579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.325579 (E_RNA) where: Base-Base interactions energy: -706.982 where: short stacking energy: -328.914 Base-Backbone interact. energy: 0.037 local terms energy: -436.379943 where: bonds (distance) C4'-P energy: -90.855 bonds (distance) P-C4' energy: -117.696 flat angles C4'-P-C4' energy: -105.004 flat angles P-C4'-P energy: -58.912 tors. eta vs tors. theta energy: -63.913 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: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -742.309745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.309745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.309745 (E_RNA) where: Base-Base interactions energy: -350.776 where: short stacking energy: -223.196 Base-Backbone interact. energy: -1.548 local terms energy: -389.986146 where: bonds (distance) C4'-P energy: -94.595 bonds (distance) P-C4' energy: -102.341 flat angles C4'-P-C4' energy: -106.779 flat angles P-C4'-P energy: -63.326 tors. eta vs tors. theta energy: -22.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -622.524777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.524777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.524777 (E_RNA) where: Base-Base interactions energy: -276.024 where: short stacking energy: -171.463 Base-Backbone interact. energy: 0.260 local terms energy: -346.761059 where: bonds (distance) C4'-P energy: -106.181 bonds (distance) P-C4' energy: -116.532 flat angles C4'-P-C4' energy: -97.840 flat angles P-C4'-P energy: -39.037 tors. eta vs tors. theta energy: 12.829 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: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -499.891375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.891375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.891375 (E_RNA) where: Base-Base interactions energy: -196.958 where: short stacking energy: -131.564 Base-Backbone interact. energy: 12.022 local terms energy: -314.955719 where: bonds (distance) C4'-P energy: -101.398 bonds (distance) P-C4' energy: -109.110 flat angles C4'-P-C4' energy: -85.556 flat angles P-C4'-P energy: -33.932 tors. eta vs tors. theta energy: 15.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2026.637204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.637204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.637204 (E_RNA) where: Base-Base interactions energy: -1403.804 where: short stacking energy: -572.607 Base-Backbone interact. energy: -1.207 local terms energy: -621.626214 where: bonds (distance) C4'-P energy: -117.160 bonds (distance) P-C4' energy: -124.794 flat angles C4'-P-C4' energy: -127.729 flat angles P-C4'-P energy: -86.609 tors. eta vs tors. theta energy: -165.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1968.163913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.163913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.163913 (E_RNA) where: Base-Base interactions energy: -1338.517 where: short stacking energy: -561.938 Base-Backbone interact. energy: -2.460 local terms energy: -627.187816 where: bonds (distance) C4'-P energy: -87.699 bonds (distance) P-C4' energy: -131.800 flat angles C4'-P-C4' energy: -144.307 flat angles P-C4'-P energy: -97.399 tors. eta vs tors. theta energy: -165.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1824.490037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.490037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.490037 (E_RNA) where: Base-Base interactions energy: -1238.105 where: short stacking energy: -510.391 Base-Backbone interact. energy: -3.874 local terms energy: -582.510961 where: bonds (distance) C4'-P energy: -123.126 bonds (distance) P-C4' energy: -112.453 flat angles C4'-P-C4' energy: -119.609 flat angles P-C4'-P energy: -78.021 tors. eta vs tors. theta energy: -149.302 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: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1686.843719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.843719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.843719 (E_RNA) where: Base-Base interactions energy: -1107.299 where: short stacking energy: -499.785 Base-Backbone interact. energy: -2.045 local terms energy: -577.499863 where: bonds (distance) C4'-P energy: -110.008 bonds (distance) P-C4' energy: -111.414 flat angles C4'-P-C4' energy: -126.878 flat angles P-C4'-P energy: -92.489 tors. eta vs tors. theta energy: -136.712 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: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1622.649743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.649743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.649743 (E_RNA) where: Base-Base interactions energy: -1084.681 where: short stacking energy: -455.835 Base-Backbone interact. energy: 4.288 local terms energy: -542.256360 where: bonds (distance) C4'-P energy: -106.525 bonds (distance) P-C4' energy: -123.589 flat angles C4'-P-C4' energy: -126.948 flat angles P-C4'-P energy: -58.055 tors. eta vs tors. theta energy: -127.138 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: 4 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1389.409106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.409106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.409106 (E_RNA) where: Base-Base interactions energy: -891.963 where: short stacking energy: -406.384 Base-Backbone interact. energy: 4.416 local terms energy: -501.862663 where: bonds (distance) C4'-P energy: -91.995 bonds (distance) P-C4' energy: -105.785 flat angles C4'-P-C4' energy: -132.926 flat angles P-C4'-P energy: -69.912 tors. eta vs tors. theta energy: -101.245 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: 2 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1125.212747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.212747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.212747 (E_RNA) where: Base-Base interactions energy: -694.806 where: short stacking energy: -340.266 Base-Backbone interact. energy: -0.380 local terms energy: -430.026471 where: bonds (distance) C4'-P energy: -104.443 bonds (distance) P-C4' energy: -108.659 flat angles C4'-P-C4' energy: -96.292 flat angles P-C4'-P energy: -50.948 tors. eta vs tors. theta energy: -69.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -656.288907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.288907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.288907 (E_RNA) where: Base-Base interactions energy: -286.598 where: short stacking energy: -199.505 Base-Backbone interact. energy: -0.655 local terms energy: -369.035820 where: bonds (distance) C4'-P energy: -109.723 bonds (distance) P-C4' energy: -119.298 flat angles C4'-P-C4' energy: -85.008 flat angles P-C4'-P energy: -48.118 tors. eta vs tors. theta energy: -6.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -637.931026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.931026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.931026 (E_RNA) where: Base-Base interactions energy: -275.621 where: short stacking energy: -185.788 Base-Backbone interact. energy: 3.562 local terms energy: -365.871430 where: bonds (distance) C4'-P energy: -90.030 bonds (distance) P-C4' energy: -105.634 flat angles C4'-P-C4' energy: -98.239 flat angles P-C4'-P energy: -57.143 tors. eta vs tors. theta energy: -14.825 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: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -443.256665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.256665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.256665 (E_RNA) where: Base-Base interactions energy: -157.281 where: short stacking energy: -130.466 Base-Backbone interact. energy: 2.614 local terms energy: -288.589545 where: bonds (distance) C4'-P energy: -96.319 bonds (distance) P-C4' energy: -107.291 flat angles C4'-P-C4' energy: -80.860 flat angles P-C4'-P energy: -30.367 tors. eta vs tors. theta energy: 26.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2009.110005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.110005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.110005 (E_RNA) where: Base-Base interactions energy: -1353.495 where: short stacking energy: -576.371 Base-Backbone interact. energy: -1.489 local terms energy: -654.126091 where: bonds (distance) C4'-P energy: -136.838 bonds (distance) P-C4' energy: -118.334 flat angles C4'-P-C4' energy: -128.247 flat angles P-C4'-P energy: -102.911 tors. eta vs tors. theta energy: -167.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1988.793718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.793718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.793718 (E_RNA) where: Base-Base interactions energy: -1347.730 where: short stacking energy: -555.971 Base-Backbone interact. energy: -2.531 local terms energy: -638.532808 where: bonds (distance) C4'-P energy: -126.058 bonds (distance) P-C4' energy: -125.091 flat angles C4'-P-C4' energy: -132.714 flat angles P-C4'-P energy: -87.302 tors. eta vs tors. theta energy: -167.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1871.403085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.403085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.403085 (E_RNA) where: Base-Base interactions energy: -1265.987 where: short stacking energy: -561.636 Base-Backbone interact. energy: 7.417 local terms energy: -612.832792 where: bonds (distance) C4'-P energy: -116.299 bonds (distance) P-C4' energy: -121.612 flat angles C4'-P-C4' energy: -131.698 flat angles P-C4'-P energy: -79.873 tors. eta vs tors. theta energy: -163.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1664.877970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.877970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.877970 (E_RNA) where: Base-Base interactions energy: -1111.751 where: short stacking energy: -469.018 Base-Backbone interact. energy: 0.230 local terms energy: -553.357681 where: bonds (distance) C4'-P energy: -120.240 bonds (distance) P-C4' energy: -112.406 flat angles C4'-P-C4' energy: -113.929 flat angles P-C4'-P energy: -79.184 tors. eta vs tors. theta energy: -127.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1595.624051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.624051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.624051 (E_RNA) where: Base-Base interactions energy: -1042.104 where: short stacking energy: -444.363 Base-Backbone interact. energy: -0.588 local terms energy: -552.931895 where: bonds (distance) C4'-P energy: -121.450 bonds (distance) P-C4' energy: -107.594 flat angles C4'-P-C4' energy: -122.821 flat angles P-C4'-P energy: -92.422 tors. eta vs tors. theta energy: -108.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1377.447703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.447703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.447703 (E_RNA) where: Base-Base interactions energy: -896.570 where: short stacking energy: -368.027 Base-Backbone interact. energy: 1.135 local terms energy: -482.012481 where: bonds (distance) C4'-P energy: -102.814 bonds (distance) P-C4' energy: -99.440 flat angles C4'-P-C4' energy: -116.307 flat angles P-C4'-P energy: -72.110 tors. eta vs tors. theta energy: -91.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1106.608104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.608104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.608104 (E_RNA) where: Base-Base interactions energy: -666.355 where: short stacking energy: -305.746 Base-Backbone interact. energy: -0.710 local terms energy: -439.543124 where: bonds (distance) C4'-P energy: -94.749 bonds (distance) P-C4' energy: -113.287 flat angles C4'-P-C4' energy: -104.329 flat angles P-C4'-P energy: -67.103 tors. eta vs tors. theta energy: -60.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -665.938720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.938720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.938720 (E_RNA) where: Base-Base interactions energy: -310.290 where: short stacking energy: -189.878 Base-Backbone interact. energy: 2.663 local terms energy: -358.311972 where: bonds (distance) C4'-P energy: -100.932 bonds (distance) P-C4' energy: -121.863 flat angles C4'-P-C4' energy: -90.168 flat angles P-C4'-P energy: -47.048 tors. eta vs tors. theta energy: 1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -610.283008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.283008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.283008 (E_RNA) where: Base-Base interactions energy: -278.087 where: short stacking energy: -149.005 Base-Backbone interact. energy: 4.722 local terms energy: -336.918655 where: bonds (distance) C4'-P energy: -84.407 bonds (distance) P-C4' energy: -140.187 flat angles C4'-P-C4' energy: -83.284 flat angles P-C4'-P energy: -52.216 tors. eta vs tors. theta energy: 23.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -474.257829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.257829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.257829 (E_RNA) where: Base-Base interactions energy: -159.869 where: short stacking energy: -127.370 Base-Backbone interact. energy: 1.204 local terms energy: -315.592995 where: bonds (distance) C4'-P energy: -100.771 bonds (distance) P-C4' energy: -103.554 flat angles C4'-P-C4' energy: -73.034 flat angles P-C4'-P energy: -55.941 tors. eta vs tors. theta energy: 17.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2024.865982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.865982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.865982 (E_RNA) where: Base-Base interactions energy: -1344.532 where: short stacking energy: -557.967 Base-Backbone interact. energy: -0.936 local terms energy: -679.398042 where: bonds (distance) C4'-P energy: -127.228 bonds (distance) P-C4' energy: -134.492 flat angles C4'-P-C4' energy: -147.409 flat angles P-C4'-P energy: -95.246 tors. eta vs tors. theta energy: -175.023 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: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1967.213520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.213520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.213520 (E_RNA) where: Base-Base interactions energy: -1365.631 where: short stacking energy: -548.025 Base-Backbone interact. energy: -0.551 local terms energy: -601.030804 where: bonds (distance) C4'-P energy: -113.599 bonds (distance) P-C4' energy: -115.166 flat angles C4'-P-C4' energy: -121.266 flat angles P-C4'-P energy: -86.360 tors. eta vs tors. theta energy: -164.641 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: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1867.771600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.771600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.771600 (E_RNA) where: Base-Base interactions energy: -1281.111 where: short stacking energy: -549.911 Base-Backbone interact. energy: -0.790 local terms energy: -585.870704 where: bonds (distance) C4'-P energy: -107.951 bonds (distance) P-C4' energy: -101.617 flat angles C4'-P-C4' energy: -125.161 flat angles P-C4'-P energy: -79.246 tors. eta vs tors. theta energy: -171.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1708.612794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.612794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.612794 (E_RNA) where: Base-Base interactions energy: -1160.465 where: short stacking energy: -508.711 Base-Backbone interact. energy: -5.147 local terms energy: -543.000399 where: bonds (distance) C4'-P energy: -96.296 bonds (distance) P-C4' energy: -112.135 flat angles C4'-P-C4' energy: -117.353 flat angles P-C4'-P energy: -77.319 tors. eta vs tors. theta energy: -139.896 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: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1597.350814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.350814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.350814 (E_RNA) where: Base-Base interactions energy: -1060.017 where: short stacking energy: -465.963 Base-Backbone interact. energy: -0.866 local terms energy: -536.467294 where: bonds (distance) C4'-P energy: -112.657 bonds (distance) P-C4' energy: -96.092 flat angles C4'-P-C4' energy: -110.461 flat angles P-C4'-P energy: -77.727 tors. eta vs tors. theta energy: -139.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1350.230469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.230469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.230469 (E_RNA) where: Base-Base interactions energy: -886.232 where: short stacking energy: -388.798 Base-Backbone interact. energy: -1.821 local terms energy: -462.178176 where: bonds (distance) C4'-P energy: -103.015 bonds (distance) P-C4' energy: -89.892 flat angles C4'-P-C4' energy: -107.914 flat angles P-C4'-P energy: -75.318 tors. eta vs tors. theta energy: -86.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1187.369723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.369723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.369723 (E_RNA) where: Base-Base interactions energy: -770.407 where: short stacking energy: -341.414 Base-Backbone interact. energy: 0.370 local terms energy: -417.332548 where: bonds (distance) C4'-P energy: -91.595 bonds (distance) P-C4' energy: -94.902 flat angles C4'-P-C4' energy: -105.979 flat angles P-C4'-P energy: -43.117 tors. eta vs tors. theta energy: -81.739 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: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -626.679053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.679053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.679053 (E_RNA) where: Base-Base interactions energy: -284.938 where: short stacking energy: -154.147 Base-Backbone interact. energy: 1.571 local terms energy: -343.312418 where: bonds (distance) C4'-P energy: -98.873 bonds (distance) P-C4' energy: -111.460 flat angles C4'-P-C4' energy: -83.756 flat angles P-C4'-P energy: -56.260 tors. eta vs tors. theta energy: 7.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -614.164069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.164069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.164069 (E_RNA) where: Base-Base interactions energy: -259.627 where: short stacking energy: -165.972 Base-Backbone interact. energy: -3.224 local terms energy: -351.313012 where: bonds (distance) C4'-P energy: -85.513 bonds (distance) P-C4' energy: -120.472 flat angles C4'-P-C4' energy: -90.178 flat angles P-C4'-P energy: -59.094 tors. eta vs tors. theta energy: 3.944 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: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -504.940903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.940903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.940903 (E_RNA) where: Base-Base interactions energy: -191.040 where: short stacking energy: -138.719 Base-Backbone interact. energy: 1.753 local terms energy: -315.653476 where: bonds (distance) C4'-P energy: -103.234 bonds (distance) P-C4' energy: -97.061 flat angles C4'-P-C4' energy: -67.252 flat angles P-C4'-P energy: -60.236 tors. eta vs tors. theta energy: 12.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2020.177342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.177342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.177342 (E_RNA) where: Base-Base interactions energy: -1378.566 where: short stacking energy: -592.252 Base-Backbone interact. energy: 1.693 local terms energy: -643.304513 where: bonds (distance) C4'-P energy: -113.831 bonds (distance) P-C4' energy: -119.177 flat angles C4'-P-C4' energy: -138.474 flat angles P-C4'-P energy: -90.269 tors. eta vs tors. theta energy: -181.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1932.841659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.841659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.841659 (E_RNA) where: Base-Base interactions energy: -1288.499 where: short stacking energy: -587.514 Base-Backbone interact. energy: 3.495 local terms energy: -647.837482 where: bonds (distance) C4'-P energy: -107.119 bonds (distance) P-C4' energy: -122.272 flat angles C4'-P-C4' energy: -145.290 flat angles P-C4'-P energy: -89.615 tors. eta vs tors. theta energy: -183.542 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: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1886.539574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.539574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.539574 (E_RNA) where: Base-Base interactions energy: -1269.454 where: short stacking energy: -553.732 Base-Backbone interact. energy: -3.563 local terms energy: -613.521935 where: bonds (distance) C4'-P energy: -114.780 bonds (distance) P-C4' energy: -117.943 flat angles C4'-P-C4' energy: -124.908 flat angles P-C4'-P energy: -87.711 tors. eta vs tors. theta energy: -168.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1660.113169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.113169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.113169 (E_RNA) where: Base-Base interactions energy: -1105.333 where: short stacking energy: -471.678 Base-Backbone interact. energy: -1.604 local terms energy: -553.176320 where: bonds (distance) C4'-P energy: -128.255 bonds (distance) P-C4' energy: -110.000 flat angles C4'-P-C4' energy: -111.208 flat angles P-C4'-P energy: -74.146 tors. eta vs tors. theta energy: -129.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1585.605895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.605895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.605895 (E_RNA) where: Base-Base interactions energy: -1035.371 where: short stacking energy: -465.273 Base-Backbone interact. energy: 5.245 local terms energy: -555.479428 where: bonds (distance) C4'-P energy: -106.111 bonds (distance) P-C4' energy: -108.611 flat angles C4'-P-C4' energy: -114.767 flat angles P-C4'-P energy: -80.363 tors. eta vs tors. theta energy: -145.628 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: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1361.608211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.608211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.608211 (E_RNA) where: Base-Base interactions energy: -854.550 where: short stacking energy: -384.970 Base-Backbone interact. energy: -2.822 local terms energy: -504.235829 where: bonds (distance) C4'-P energy: -114.282 bonds (distance) P-C4' energy: -125.221 flat angles C4'-P-C4' energy: -99.742 flat angles P-C4'-P energy: -78.450 tors. eta vs tors. theta energy: -86.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1196.181164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.181164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.181164 (E_RNA) where: Base-Base interactions energy: -720.206 where: short stacking energy: -302.248 Base-Backbone interact. energy: -0.207 local terms energy: -475.767355 where: bonds (distance) C4'-P energy: -100.059 bonds (distance) P-C4' energy: -104.702 flat angles C4'-P-C4' energy: -120.075 flat angles P-C4'-P energy: -80.309 tors. eta vs tors. theta energy: -70.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -592.606955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.606955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.606955 (E_RNA) where: Base-Base interactions energy: -251.683 where: short stacking energy: -167.801 Base-Backbone interact. energy: -1.742 local terms energy: -339.181887 where: bonds (distance) C4'-P energy: -89.109 bonds (distance) P-C4' energy: -116.810 flat angles C4'-P-C4' energy: -85.189 flat angles P-C4'-P energy: -57.548 tors. eta vs tors. theta energy: 9.474 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: 9, replica: 6 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -618.158466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.158466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.158466 (E_RNA) where: Base-Base interactions energy: -294.640 where: short stacking energy: -163.749 Base-Backbone interact. energy: 0.254 local terms energy: -323.772631 where: bonds (distance) C4'-P energy: -112.595 bonds (distance) P-C4' energy: -96.175 flat angles C4'-P-C4' energy: -81.638 flat angles P-C4'-P energy: -46.406 tors. eta vs tors. theta energy: 13.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -452.245427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.245427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.245427 (E_RNA) where: Base-Base interactions energy: -140.208 where: short stacking energy: -126.865 Base-Backbone interact. energy: 0.080 local terms energy: -312.117868 where: bonds (distance) C4'-P energy: -95.365 bonds (distance) P-C4' energy: -118.128 flat angles C4'-P-C4' energy: -92.509 flat angles P-C4'-P energy: -39.542 tors. eta vs tors. theta energy: 33.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2058.869856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.869856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.869856 (E_RNA) where: Base-Base interactions energy: -1416.696 where: short stacking energy: -595.191 Base-Backbone interact. energy: -3.430 local terms energy: -638.744502 where: bonds (distance) C4'-P energy: -124.181 bonds (distance) P-C4' energy: -109.628 flat angles C4'-P-C4' energy: -135.606 flat angles P-C4'-P energy: -91.096 tors. eta vs tors. theta energy: -178.233 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: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1954.142759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.142759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.142759 (E_RNA) where: Base-Base interactions energy: -1307.884 where: short stacking energy: -568.111 Base-Backbone interact. energy: -0.977 local terms energy: -645.281697 where: bonds (distance) C4'-P energy: -118.711 bonds (distance) P-C4' energy: -119.879 flat angles C4'-P-C4' energy: -140.480 flat angles P-C4'-P energy: -80.880 tors. eta vs tors. theta energy: -185.332 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: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1884.091604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.091604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.091604 (E_RNA) where: Base-Base interactions energy: -1275.761 where: short stacking energy: -552.087 Base-Backbone interact. energy: -2.726 local terms energy: -605.604082 where: bonds (distance) C4'-P energy: -109.084 bonds (distance) P-C4' energy: -118.992 flat angles C4'-P-C4' energy: -119.087 flat angles P-C4'-P energy: -93.982 tors. eta vs tors. theta energy: -164.460 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: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1717.226818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.226818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.226818 (E_RNA) where: Base-Base interactions energy: -1147.877 where: short stacking energy: -493.431 Base-Backbone interact. energy: 0.716 local terms energy: -570.066032 where: bonds (distance) C4'-P energy: -117.345 bonds (distance) P-C4' energy: -105.589 flat angles C4'-P-C4' energy: -130.504 flat angles P-C4'-P energy: -68.210 tors. eta vs tors. theta energy: -148.417 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: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1581.651292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.651292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.651292 (E_RNA) where: Base-Base interactions energy: -1035.535 where: short stacking energy: -462.695 Base-Backbone interact. energy: -1.206 local terms energy: -544.910306 where: bonds (distance) C4'-P energy: -98.600 bonds (distance) P-C4' energy: -118.457 flat angles C4'-P-C4' energy: -109.762 flat angles P-C4'-P energy: -72.791 tors. eta vs tors. theta energy: -145.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1375.454237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.454237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.454237 (E_RNA) where: Base-Base interactions energy: -857.049 where: short stacking energy: -396.426 Base-Backbone interact. energy: 1.795 local terms energy: -520.200139 where: bonds (distance) C4'-P energy: -111.975 bonds (distance) P-C4' energy: -104.652 flat angles C4'-P-C4' energy: -117.735 flat angles P-C4'-P energy: -76.000 tors. eta vs tors. theta energy: -109.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1200.563246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.563246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.563246 (E_RNA) where: Base-Base interactions energy: -736.340 where: short stacking energy: -313.925 Base-Backbone interact. energy: -5.578 local terms energy: -458.645106 where: bonds (distance) C4'-P energy: -95.879 bonds (distance) P-C4' energy: -101.800 flat angles C4'-P-C4' energy: -110.208 flat angles P-C4'-P energy: -79.689 tors. eta vs tors. theta energy: -71.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -633.071560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.071560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.071560 (E_RNA) where: Base-Base interactions energy: -252.312 where: short stacking energy: -180.532 Base-Backbone interact. energy: 1.895 local terms energy: -382.654955 where: bonds (distance) C4'-P energy: -95.145 bonds (distance) P-C4' energy: -116.304 flat angles C4'-P-C4' energy: -95.940 flat angles P-C4'-P energy: -61.998 tors. eta vs tors. theta energy: -13.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -668.176119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.176119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.176119 (E_RNA) where: Base-Base interactions energy: -334.401 where: short stacking energy: -185.925 Base-Backbone interact. energy: 5.940 local terms energy: -339.715621 where: bonds (distance) C4'-P energy: -101.227 bonds (distance) P-C4' energy: -115.605 flat angles C4'-P-C4' energy: -83.753 flat angles P-C4'-P energy: -33.694 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -481.678114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.678114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.678114 (E_RNA) where: Base-Base interactions energy: -180.887 where: short stacking energy: -117.560 Base-Backbone interact. energy: -0.722 local terms energy: -300.069398 where: bonds (distance) C4'-P energy: -108.202 bonds (distance) P-C4' energy: -96.469 flat angles C4'-P-C4' energy: -75.449 flat angles P-C4'-P energy: -46.040 tors. eta vs tors. theta energy: 26.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2072.099682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.099682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.099682 (E_RNA) where: Base-Base interactions energy: -1410.103 where: short stacking energy: -617.819 Base-Backbone interact. energy: -2.092 local terms energy: -659.904417 where: bonds (distance) C4'-P energy: -131.292 bonds (distance) P-C4' energy: -133.687 flat angles C4'-P-C4' energy: -135.107 flat angles P-C4'-P energy: -76.565 tors. eta vs tors. theta energy: -183.253 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: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1951.015548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.015548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.015548 (E_RNA) where: Base-Base interactions energy: -1343.169 where: short stacking energy: -568.268 Base-Backbone interact. energy: -3.134 local terms energy: -604.712947 where: bonds (distance) C4'-P energy: -108.507 bonds (distance) P-C4' energy: -114.979 flat angles C4'-P-C4' energy: -140.492 flat angles P-C4'-P energy: -71.818 tors. eta vs tors. theta energy: -168.916 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: 5 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1893.189033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.189033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.189033 (E_RNA) where: Base-Base interactions energy: -1265.995 where: short stacking energy: -571.010 Base-Backbone interact. energy: -1.657 local terms energy: -625.537327 where: bonds (distance) C4'-P energy: -111.071 bonds (distance) P-C4' energy: -116.534 flat angles C4'-P-C4' energy: -137.009 flat angles P-C4'-P energy: -88.965 tors. eta vs tors. theta energy: -171.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1724.384057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.384057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.384057 (E_RNA) where: Base-Base interactions energy: -1157.827 where: short stacking energy: -491.083 Base-Backbone interact. energy: -0.393 local terms energy: -566.164490 where: bonds (distance) C4'-P energy: -112.683 bonds (distance) P-C4' energy: -106.825 flat angles C4'-P-C4' energy: -129.044 flat angles P-C4'-P energy: -76.000 tors. eta vs tors. theta energy: -141.613 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: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1598.663239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.663239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.663239 (E_RNA) where: Base-Base interactions energy: -1037.362 where: short stacking energy: -470.864 Base-Backbone interact. energy: -2.836 local terms energy: -558.464904 where: bonds (distance) C4'-P energy: -114.226 bonds (distance) P-C4' energy: -115.780 flat angles C4'-P-C4' energy: -109.039 flat angles P-C4'-P energy: -87.312 tors. eta vs tors. theta energy: -132.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1429.672984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.672984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.672984 (E_RNA) where: Base-Base interactions energy: -921.067 where: short stacking energy: -384.452 Base-Backbone interact. energy: -1.371 local terms energy: -507.235396 where: bonds (distance) C4'-P energy: -101.925 bonds (distance) P-C4' energy: -114.651 flat angles C4'-P-C4' energy: -110.094 flat angles P-C4'-P energy: -81.981 tors. eta vs tors. theta energy: -98.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1179.462964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.462964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.462964 (E_RNA) where: Base-Base interactions energy: -720.331 where: short stacking energy: -330.889 Base-Backbone interact. energy: -0.355 local terms energy: -458.777145 where: bonds (distance) C4'-P energy: -105.412 bonds (distance) P-C4' energy: -106.437 flat angles C4'-P-C4' energy: -105.486 flat angles P-C4'-P energy: -74.434 tors. eta vs tors. theta energy: -67.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -656.497990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.497990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.497990 (E_RNA) where: Base-Base interactions energy: -269.823 where: short stacking energy: -212.328 Base-Backbone interact. energy: -2.613 local terms energy: -384.061562 where: bonds (distance) C4'-P energy: -111.292 bonds (distance) P-C4' energy: -104.705 flat angles C4'-P-C4' energy: -93.469 flat angles P-C4'-P energy: -57.862 tors. eta vs tors. theta energy: -16.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -645.831925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.831925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.831925 (E_RNA) where: Base-Base interactions energy: -308.514 where: short stacking energy: -160.263 Base-Backbone interact. energy: -4.344 local terms energy: -332.973951 where: bonds (distance) C4'-P energy: -101.503 bonds (distance) P-C4' energy: -96.224 flat angles C4'-P-C4' energy: -84.686 flat angles P-C4'-P energy: -58.403 tors. eta vs tors. theta energy: 7.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -511.400486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.400486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.400486 (E_RNA) where: Base-Base interactions energy: -192.244 where: short stacking energy: -130.164 Base-Backbone interact. energy: 1.319 local terms energy: -320.475997 where: bonds (distance) C4'-P energy: -102.741 bonds (distance) P-C4' energy: -96.622 flat angles C4'-P-C4' energy: -94.441 flat angles P-C4'-P energy: -54.473 tors. eta vs tors. theta energy: 27.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2050.263357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.263357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.263357 (E_RNA) where: Base-Base interactions energy: -1393.826 where: short stacking energy: -594.082 Base-Backbone interact. energy: -1.316 local terms energy: -655.121079 where: bonds (distance) C4'-P energy: -117.761 bonds (distance) P-C4' energy: -123.607 flat angles C4'-P-C4' energy: -139.940 flat angles P-C4'-P energy: -86.351 tors. eta vs tors. theta energy: -187.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1916.747352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.747352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.747352 (E_RNA) where: Base-Base interactions energy: -1293.540 where: short stacking energy: -524.970 Base-Backbone interact. energy: -0.681 local terms energy: -622.525825 where: bonds (distance) C4'-P energy: -115.262 bonds (distance) P-C4' energy: -120.322 flat angles C4'-P-C4' energy: -141.739 flat angles P-C4'-P energy: -87.072 tors. eta vs tors. theta energy: -158.131 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: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1869.218422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.218422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.218422 (E_RNA) where: Base-Base interactions energy: -1258.590 where: short stacking energy: -550.180 Base-Backbone interact. energy: -3.006 local terms energy: -607.622431 where: bonds (distance) C4'-P energy: -113.014 bonds (distance) P-C4' energy: -113.318 flat angles C4'-P-C4' energy: -129.133 flat angles P-C4'-P energy: -84.884 tors. eta vs tors. theta energy: -167.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1741.290260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.290260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.290260 (E_RNA) where: Base-Base interactions energy: -1148.652 where: short stacking energy: -486.357 Base-Backbone interact. energy: -2.520 local terms energy: -590.118032 where: bonds (distance) C4'-P energy: -109.184 bonds (distance) P-C4' energy: -115.426 flat angles C4'-P-C4' energy: -116.884 flat angles P-C4'-P energy: -92.968 tors. eta vs tors. theta energy: -155.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1606.469285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.469285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.469285 (E_RNA) where: Base-Base interactions energy: -1078.407 where: short stacking energy: -459.364 Base-Backbone interact. energy: 0.374 local terms energy: -528.435687 where: bonds (distance) C4'-P energy: -108.810 bonds (distance) P-C4' energy: -95.454 flat angles C4'-P-C4' energy: -125.004 flat angles P-C4'-P energy: -80.504 tors. eta vs tors. theta energy: -118.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1412.642619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.642619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.642619 (E_RNA) where: Base-Base interactions energy: -928.967 where: short stacking energy: -382.157 Base-Backbone interact. energy: 1.400 local terms energy: -485.076413 where: bonds (distance) C4'-P energy: -111.329 bonds (distance) P-C4' energy: -93.222 flat angles C4'-P-C4' energy: -109.090 flat angles P-C4'-P energy: -75.930 tors. eta vs tors. theta energy: -95.506 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: 2 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1256.283060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.283060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.283060 (E_RNA) where: Base-Base interactions energy: -765.239 where: short stacking energy: -367.105 Base-Backbone interact. energy: -0.640 local terms energy: -490.404522 where: bonds (distance) C4'-P energy: -103.606 bonds (distance) P-C4' energy: -102.582 flat angles C4'-P-C4' energy: -112.928 flat angles P-C4'-P energy: -83.504 tors. eta vs tors. theta energy: -87.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -711.811403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.811403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.811403 (E_RNA) where: Base-Base interactions energy: -345.786 where: short stacking energy: -191.312 Base-Backbone interact. energy: -1.289 local terms energy: -364.736325 where: bonds (distance) C4'-P energy: -92.842 bonds (distance) P-C4' energy: -112.625 flat angles C4'-P-C4' energy: -90.326 flat angles P-C4'-P energy: -52.429 tors. eta vs tors. theta energy: -16.514 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: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -567.273400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.273400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.273400 (E_RNA) where: Base-Base interactions energy: -253.364 where: short stacking energy: -174.633 Base-Backbone interact. energy: 1.670 local terms energy: -315.578918 where: bonds (distance) C4'-P energy: -85.953 bonds (distance) P-C4' energy: -103.921 flat angles C4'-P-C4' energy: -85.344 flat angles P-C4'-P energy: -50.436 tors. eta vs tors. theta energy: 10.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -499.163588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.163588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.163588 (E_RNA) where: Base-Base interactions energy: -206.816 where: short stacking energy: -151.288 Base-Backbone interact. energy: 1.012 local terms energy: -293.359496 where: bonds (distance) C4'-P energy: -85.989 bonds (distance) P-C4' energy: -109.206 flat angles C4'-P-C4' energy: -74.044 flat angles P-C4'-P energy: -39.666 tors. eta vs tors. theta energy: 15.546 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: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2075.159600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.159600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.159600 (E_RNA) where: Base-Base interactions energy: -1393.821 where: short stacking energy: -616.945 Base-Backbone interact. energy: -4.978 local terms energy: -676.359719 where: bonds (distance) C4'-P energy: -126.868 bonds (distance) P-C4' energy: -132.652 flat angles C4'-P-C4' energy: -135.211 flat angles P-C4'-P energy: -101.104 tors. eta vs tors. theta energy: -180.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1916.798281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.798281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.798281 (E_RNA) where: Base-Base interactions energy: -1308.023 where: short stacking energy: -543.325 Base-Backbone interact. energy: -2.080 local terms energy: -606.695601 where: bonds (distance) C4'-P energy: -121.464 bonds (distance) P-C4' energy: -110.034 flat angles C4'-P-C4' energy: -132.095 flat angles P-C4'-P energy: -88.442 tors. eta vs tors. theta energy: -154.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1879.084836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.084836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.084836 (E_RNA) where: Base-Base interactions energy: -1273.868 where: short stacking energy: -516.392 Base-Backbone interact. energy: 0.083 local terms energy: -605.299145 where: bonds (distance) C4'-P energy: -125.578 bonds (distance) P-C4' energy: -110.238 flat angles C4'-P-C4' energy: -127.978 flat angles P-C4'-P energy: -92.858 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: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1677.866616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.866616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.866616 (E_RNA) where: Base-Base interactions energy: -1137.121 where: short stacking energy: -492.821 Base-Backbone interact. energy: 2.305 local terms energy: -543.050509 where: bonds (distance) C4'-P energy: -114.564 bonds (distance) P-C4' energy: -100.654 flat angles C4'-P-C4' energy: -119.062 flat angles P-C4'-P energy: -63.422 tors. eta vs tors. theta energy: -145.348 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: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1607.872376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.872376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.872376 (E_RNA) where: Base-Base interactions energy: -1072.931 where: short stacking energy: -484.835 Base-Backbone interact. energy: 1.599 local terms energy: -536.540658 where: bonds (distance) C4'-P energy: -89.100 bonds (distance) P-C4' energy: -107.938 flat angles C4'-P-C4' energy: -121.469 flat angles P-C4'-P energy: -84.718 tors. eta vs tors. theta energy: -133.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1451.336174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.336174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.336174 (E_RNA) where: Base-Base interactions energy: -923.717 where: short stacking energy: -417.183 Base-Backbone interact. energy: -2.993 local terms energy: -524.626368 where: bonds (distance) C4'-P energy: -92.943 bonds (distance) P-C4' energy: -127.027 flat angles C4'-P-C4' energy: -119.425 flat angles P-C4'-P energy: -63.973 tors. eta vs tors. theta energy: -121.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1194.652984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.652984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.652984 (E_RNA) where: Base-Base interactions energy: -745.130 where: short stacking energy: -332.477 Base-Backbone interact. energy: 0.148 local terms energy: -449.670928 where: bonds (distance) C4'-P energy: -108.247 bonds (distance) P-C4' energy: -106.277 flat angles C4'-P-C4' energy: -110.217 flat angles P-C4'-P energy: -73.195 tors. eta vs tors. theta energy: -51.735 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: 8, replica: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -695.127029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.127029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.127029 (E_RNA) where: Base-Base interactions energy: -321.916 where: short stacking energy: -183.253 Base-Backbone interact. energy: -2.018 local terms energy: -371.192573 where: bonds (distance) C4'-P energy: -96.803 bonds (distance) P-C4' energy: -113.255 flat angles C4'-P-C4' energy: -106.286 flat angles P-C4'-P energy: -56.156 tors. eta vs tors. theta energy: 1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -629.974315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.974315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.974315 (E_RNA) where: Base-Base interactions energy: -287.758 where: short stacking energy: -180.161 Base-Backbone interact. energy: -1.412 local terms energy: -340.804480 where: bonds (distance) C4'-P energy: -94.810 bonds (distance) P-C4' energy: -111.990 flat angles C4'-P-C4' energy: -77.808 flat angles P-C4'-P energy: -69.204 tors. eta vs tors. theta energy: 13.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -474.480651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.480651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.480651 (E_RNA) where: Base-Base interactions energy: -204.747 where: short stacking energy: -122.559 Base-Backbone interact. energy: 0.261 local terms energy: -269.994661 where: bonds (distance) C4'-P energy: -95.581 bonds (distance) P-C4' energy: -81.641 flat angles C4'-P-C4' energy: -70.701 flat angles P-C4'-P energy: -44.841 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: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2076.206206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.206206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.206206 (E_RNA) where: Base-Base interactions energy: -1401.613 where: short stacking energy: -579.723 Base-Backbone interact. energy: -2.682 local terms energy: -671.911146 where: bonds (distance) C4'-P energy: -121.276 bonds (distance) P-C4' energy: -138.921 flat angles C4'-P-C4' energy: -134.212 flat angles P-C4'-P energy: -92.376 tors. eta vs tors. theta energy: -185.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1922.676667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.676667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.676667 (E_RNA) where: Base-Base interactions energy: -1291.855 where: short stacking energy: -533.434 Base-Backbone interact. energy: -1.916 local terms energy: -628.905863 where: bonds (distance) C4'-P energy: -126.438 bonds (distance) P-C4' energy: -118.984 flat angles C4'-P-C4' energy: -136.124 flat angles P-C4'-P energy: -86.191 tors. eta vs tors. theta energy: -161.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1838.834558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.834558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.834558 (E_RNA) where: Base-Base interactions energy: -1220.755 where: short stacking energy: -538.023 Base-Backbone interact. energy: 1.101 local terms energy: -619.180604 where: bonds (distance) C4'-P energy: -122.120 bonds (distance) P-C4' energy: -116.853 flat angles C4'-P-C4' energy: -134.064 flat angles P-C4'-P energy: -83.601 tors. eta vs tors. theta energy: -162.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1692.350018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.350018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.350018 (E_RNA) where: Base-Base interactions energy: -1078.351 where: short stacking energy: -474.748 Base-Backbone interact. energy: 2.753 local terms energy: -616.751171 where: bonds (distance) C4'-P energy: -119.631 bonds (distance) P-C4' energy: -119.695 flat angles C4'-P-C4' energy: -137.180 flat angles P-C4'-P energy: -87.777 tors. eta vs tors. theta energy: -152.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1586.816318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.816318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.816318 (E_RNA) where: Base-Base interactions energy: -1019.756 where: short stacking energy: -452.380 Base-Backbone interact. energy: 0.173 local terms energy: -567.232912 where: bonds (distance) C4'-P energy: -120.165 bonds (distance) P-C4' energy: -111.241 flat angles C4'-P-C4' energy: -127.764 flat angles P-C4'-P energy: -86.798 tors. eta vs tors. theta energy: -121.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1410.362317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.362317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.362317 (E_RNA) where: Base-Base interactions energy: -918.972 where: short stacking energy: -390.005 Base-Backbone interact. energy: 0.276 local terms energy: -491.666543 where: bonds (distance) C4'-P energy: -95.498 bonds (distance) P-C4' energy: -121.116 flat angles C4'-P-C4' energy: -113.363 flat angles P-C4'-P energy: -64.376 tors. eta vs tors. theta energy: -97.314 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: 2 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1238.832173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.832173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.832173 (E_RNA) where: Base-Base interactions energy: -793.250 where: short stacking energy: -336.196 Base-Backbone interact. energy: -0.336 local terms energy: -445.246325 where: bonds (distance) C4'-P energy: -115.773 bonds (distance) P-C4' energy: -103.732 flat angles C4'-P-C4' energy: -102.297 flat angles P-C4'-P energy: -55.315 tors. eta vs tors. theta energy: -68.130 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: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -734.420141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.420141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.420141 (E_RNA) where: Base-Base interactions energy: -389.678 where: short stacking energy: -207.476 Base-Backbone interact. energy: -2.531 local terms energy: -342.211241 where: bonds (distance) C4'-P energy: -90.812 bonds (distance) P-C4' energy: -87.504 flat angles C4'-P-C4' energy: -105.514 flat angles P-C4'-P energy: -46.697 tors. eta vs tors. theta energy: -11.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -583.187128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.187128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.187128 (E_RNA) where: Base-Base interactions energy: -225.067 where: short stacking energy: -151.108 Base-Backbone interact. energy: -1.329 local terms energy: -356.791309 where: bonds (distance) C4'-P energy: -112.813 bonds (distance) P-C4' energy: -108.882 flat angles C4'-P-C4' energy: -81.503 flat angles P-C4'-P energy: -64.141 tors. eta vs tors. theta energy: 10.548 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: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -512.517179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.517179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.517179 (E_RNA) where: Base-Base interactions energy: -220.362 where: short stacking energy: -140.247 Base-Backbone interact. energy: -1.452 local terms energy: -290.702987 where: bonds (distance) C4'-P energy: -93.814 bonds (distance) P-C4' energy: -85.542 flat angles C4'-P-C4' energy: -98.254 flat angles P-C4'-P energy: -40.662 tors. eta vs tors. theta energy: 27.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2049.651263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.651263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.651263 (E_RNA) where: Base-Base interactions energy: -1363.643 where: short stacking energy: -586.847 Base-Backbone interact. energy: -5.219 local terms energy: -680.788867 where: bonds (distance) C4'-P energy: -131.510 bonds (distance) P-C4' energy: -140.328 flat angles C4'-P-C4' energy: -133.858 flat angles P-C4'-P energy: -99.276 tors. eta vs tors. theta energy: -175.816 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: 10 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1953.307230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.307230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.307230 (E_RNA) where: Base-Base interactions energy: -1338.555 where: short stacking energy: -560.760 Base-Backbone interact. energy: 0.882 local terms energy: -615.633655 where: bonds (distance) C4'-P energy: -127.204 bonds (distance) P-C4' energy: -114.162 flat angles C4'-P-C4' energy: -127.208 flat angles P-C4'-P energy: -80.803 tors. eta vs tors. theta energy: -166.258 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: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1860.061171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.061171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.061171 (E_RNA) where: Base-Base interactions energy: -1260.527 where: short stacking energy: -531.593 Base-Backbone interact. energy: 0.060 local terms energy: -599.594600 where: bonds (distance) C4'-P energy: -96.768 bonds (distance) P-C4' energy: -127.202 flat angles C4'-P-C4' energy: -132.090 flat angles P-C4'-P energy: -85.047 tors. eta vs tors. theta energy: -158.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1717.373053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.373053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.373053 (E_RNA) where: Base-Base interactions energy: -1153.940 where: short stacking energy: -518.885 Base-Backbone interact. energy: -0.625 local terms energy: -562.808202 where: bonds (distance) C4'-P energy: -102.077 bonds (distance) P-C4' energy: -100.575 flat angles C4'-P-C4' energy: -122.846 flat angles P-C4'-P energy: -80.431 tors. eta vs tors. theta energy: -156.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1597.967920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.967920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.967920 (E_RNA) where: Base-Base interactions energy: -1057.093 where: short stacking energy: -463.568 Base-Backbone interact. energy: -1.294 local terms energy: -539.580943 where: bonds (distance) C4'-P energy: -106.922 bonds (distance) P-C4' energy: -109.116 flat angles C4'-P-C4' energy: -131.281 flat angles P-C4'-P energy: -72.112 tors. eta vs tors. theta energy: -120.150 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: 4 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1401.425664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.425664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.425664 (E_RNA) where: Base-Base interactions energy: -906.263 where: short stacking energy: -394.716 Base-Backbone interact. energy: -1.775 local terms energy: -493.387915 where: bonds (distance) C4'-P energy: -86.042 bonds (distance) P-C4' energy: -122.665 flat angles C4'-P-C4' energy: -119.364 flat angles P-C4'-P energy: -65.459 tors. eta vs tors. theta energy: -99.858 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: 2 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1217.011814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.011814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.011814 (E_RNA) where: Base-Base interactions energy: -757.620 where: short stacking energy: -325.513 Base-Backbone interact. energy: 0.207 local terms energy: -459.598922 where: bonds (distance) C4'-P energy: -118.125 bonds (distance) P-C4' energy: -112.802 flat angles C4'-P-C4' energy: -86.113 flat angles P-C4'-P energy: -69.563 tors. eta vs tors. theta energy: -72.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -714.000873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.000873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.000873 (E_RNA) where: Base-Base interactions energy: -354.161 where: short stacking energy: -209.753 Base-Backbone interact. energy: -0.820 local terms energy: -359.019549 where: bonds (distance) C4'-P energy: -90.220 bonds (distance) P-C4' energy: -81.087 flat angles C4'-P-C4' energy: -100.183 flat angles P-C4'-P energy: -67.190 tors. eta vs tors. theta energy: -20.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -577.296952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.296952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.296952 (E_RNA) where: Base-Base interactions energy: -219.024 where: short stacking energy: -153.166 Base-Backbone interact. energy: 1.120 local terms energy: -359.393234 where: bonds (distance) C4'-P energy: -101.905 bonds (distance) P-C4' energy: -112.344 flat angles C4'-P-C4' energy: -81.141 flat angles P-C4'-P energy: -63.392 tors. eta vs tors. theta energy: -0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -561.702784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.702784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.702784 (E_RNA) where: Base-Base interactions energy: -250.756 where: short stacking energy: -145.094 Base-Backbone interact. energy: 7.463 local terms energy: -318.410015 where: bonds (distance) C4'-P energy: -93.394 bonds (distance) P-C4' energy: -99.455 flat angles C4'-P-C4' energy: -91.250 flat angles P-C4'-P energy: -49.137 tors. eta vs tors. theta energy: 14.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2017.049591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.049591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.049591 (E_RNA) where: Base-Base interactions energy: -1365.954 where: short stacking energy: -576.405 Base-Backbone interact. energy: 1.192 local terms energy: -652.286954 where: bonds (distance) C4'-P energy: -122.706 bonds (distance) P-C4' energy: -127.010 flat angles C4'-P-C4' energy: -143.217 flat angles P-C4'-P energy: -82.369 tors. eta vs tors. theta energy: -176.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1946.469243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.469243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.469243 (E_RNA) where: Base-Base interactions energy: -1318.796 where: short stacking energy: -539.348 Base-Backbone interact. energy: -1.883 local terms energy: -625.789809 where: bonds (distance) C4'-P energy: -127.431 bonds (distance) P-C4' energy: -117.936 flat angles C4'-P-C4' energy: -128.634 flat angles P-C4'-P energy: -88.858 tors. eta vs tors. theta energy: -162.930 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: 5 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1895.036591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.036591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.036591 (E_RNA) where: Base-Base interactions energy: -1267.542 where: short stacking energy: -554.011 Base-Backbone interact. energy: -3.306 local terms energy: -624.189396 where: bonds (distance) C4'-P energy: -116.855 bonds (distance) P-C4' energy: -118.461 flat angles C4'-P-C4' energy: -130.292 flat angles P-C4'-P energy: -86.067 tors. eta vs tors. theta energy: -172.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1758.016975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.016975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.016975 (E_RNA) where: Base-Base interactions energy: -1161.295 where: short stacking energy: -521.332 Base-Backbone interact. energy: -1.401 local terms energy: -595.321052 where: bonds (distance) C4'-P energy: -121.931 bonds (distance) P-C4' energy: -106.122 flat angles C4'-P-C4' energy: -128.530 flat angles P-C4'-P energy: -84.513 tors. eta vs tors. theta energy: -154.226 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: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1612.603927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.603927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.603927 (E_RNA) where: Base-Base interactions energy: -1069.229 where: short stacking energy: -453.851 Base-Backbone interact. energy: 0.235 local terms energy: -543.610593 where: bonds (distance) C4'-P energy: -120.761 bonds (distance) P-C4' energy: -106.947 flat angles C4'-P-C4' energy: -123.001 flat angles P-C4'-P energy: -70.657 tors. eta vs tors. theta energy: -122.245 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: 6, replica: 4 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1374.569894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.569894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.569894 (E_RNA) where: Base-Base interactions energy: -879.645 where: short stacking energy: -393.377 Base-Backbone interact. energy: -1.340 local terms energy: -493.585506 where: bonds (distance) C4'-P energy: -107.179 bonds (distance) P-C4' energy: -110.613 flat angles C4'-P-C4' energy: -113.646 flat angles P-C4'-P energy: -68.036 tors. eta vs tors. theta energy: -94.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1159.681982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.681982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.681982 (E_RNA) where: Base-Base interactions energy: -711.930 where: short stacking energy: -328.332 Base-Backbone interact. energy: -0.984 local terms energy: -446.768936 where: bonds (distance) C4'-P energy: -99.180 bonds (distance) P-C4' energy: -113.517 flat angles C4'-P-C4' energy: -96.354 flat angles P-C4'-P energy: -62.669 tors. eta vs tors. theta energy: -75.049 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: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -733.868633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.868633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.868633 (E_RNA) where: Base-Base interactions energy: -337.500 where: short stacking energy: -207.765 Base-Backbone interact. energy: -2.528 local terms energy: -393.840415 where: bonds (distance) C4'-P energy: -111.348 bonds (distance) P-C4' energy: -103.576 flat angles C4'-P-C4' energy: -99.065 flat angles P-C4'-P energy: -67.380 tors. eta vs tors. theta energy: -12.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -673.020970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.020970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.020970 (E_RNA) where: Base-Base interactions energy: -309.301 where: short stacking energy: -183.464 Base-Backbone interact. energy: -1.801 local terms energy: -361.919218 where: bonds (distance) C4'-P energy: -112.172 bonds (distance) P-C4' energy: -114.022 flat angles C4'-P-C4' energy: -85.168 flat angles P-C4'-P energy: -54.514 tors. eta vs tors. theta energy: 3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -586.927511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.927511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.927511 (E_RNA) where: Base-Base interactions energy: -266.530 where: short stacking energy: -170.080 Base-Backbone interact. energy: 3.780 local terms energy: -324.177936 where: bonds (distance) C4'-P energy: -93.277 bonds (distance) P-C4' energy: -96.974 flat angles C4'-P-C4' energy: -85.218 flat angles P-C4'-P energy: -53.349 tors. eta vs tors. theta energy: 4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2049.377998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.377998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.377998 (E_RNA) where: Base-Base interactions energy: -1392.946 where: short stacking energy: -586.928 Base-Backbone interact. energy: -2.065 local terms energy: -654.366609 where: bonds (distance) C4'-P energy: -117.903 bonds (distance) P-C4' energy: -125.183 flat angles C4'-P-C4' energy: -142.747 flat angles P-C4'-P energy: -95.851 tors. eta vs tors. theta energy: -172.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1920.732911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.732911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.732911 (E_RNA) where: Base-Base interactions energy: -1305.138 where: short stacking energy: -534.849 Base-Backbone interact. energy: -0.275 local terms energy: -615.319732 where: bonds (distance) C4'-P energy: -114.488 bonds (distance) P-C4' energy: -125.684 flat angles C4'-P-C4' energy: -132.299 flat angles P-C4'-P energy: -83.751 tors. eta vs tors. theta energy: -159.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1878.540525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.540525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.540525 (E_RNA) where: Base-Base interactions energy: -1276.843 where: short stacking energy: -571.949 Base-Backbone interact. energy: -1.814 local terms energy: -599.883538 where: bonds (distance) C4'-P energy: -111.998 bonds (distance) P-C4' energy: -113.209 flat angles C4'-P-C4' energy: -123.124 flat angles P-C4'-P energy: -82.600 tors. eta vs tors. theta energy: -168.953 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: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1710.204425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.204425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.204425 (E_RNA) where: Base-Base interactions energy: -1137.075 where: short stacking energy: -476.351 Base-Backbone interact. energy: -1.885 local terms energy: -571.244508 where: bonds (distance) C4'-P energy: -117.297 bonds (distance) P-C4' energy: -101.422 flat angles C4'-P-C4' energy: -125.087 flat angles P-C4'-P energy: -95.047 tors. eta vs tors. theta energy: -132.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1558.740456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.740456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.740456 (E_RNA) where: Base-Base interactions energy: -1023.057 where: short stacking energy: -435.184 Base-Backbone interact. energy: 1.384 local terms energy: -537.067698 where: bonds (distance) C4'-P energy: -102.191 bonds (distance) P-C4' energy: -110.207 flat angles C4'-P-C4' energy: -116.419 flat angles P-C4'-P energy: -87.642 tors. eta vs tors. theta energy: -120.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1397.134500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.134500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.134500 (E_RNA) where: Base-Base interactions energy: -884.550 where: short stacking energy: -396.139 Base-Backbone interact. energy: 0.018 local terms energy: -512.602483 where: bonds (distance) C4'-P energy: -106.307 bonds (distance) P-C4' energy: -112.015 flat angles C4'-P-C4' energy: -108.289 flat angles P-C4'-P energy: -82.829 tors. eta vs tors. theta energy: -103.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1103.132557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.132557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.132557 (E_RNA) where: Base-Base interactions energy: -678.890 where: short stacking energy: -321.027 Base-Backbone interact. energy: 1.417 local terms energy: -425.659606 where: bonds (distance) C4'-P energy: -110.002 bonds (distance) P-C4' energy: -99.871 flat angles C4'-P-C4' energy: -91.464 flat angles P-C4'-P energy: -54.942 tors. eta vs tors. theta energy: -69.381 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: 116 Temperature: 1.250000 Total energy: -750.443062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.443062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.443062 (E_RNA) where: Base-Base interactions energy: -387.913 where: short stacking energy: -219.247 Base-Backbone interact. energy: 1.877 local terms energy: -364.406302 where: bonds (distance) C4'-P energy: -100.881 bonds (distance) P-C4' energy: -111.975 flat angles C4'-P-C4' energy: -74.285 flat angles P-C4'-P energy: -49.684 tors. eta vs tors. theta energy: -27.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -616.861235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.861235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.861235 (E_RNA) where: Base-Base interactions energy: -291.362 where: short stacking energy: -170.770 Base-Backbone interact. energy: 5.757 local terms energy: -331.256557 where: bonds (distance) C4'-P energy: -87.717 bonds (distance) P-C4' energy: -110.662 flat angles C4'-P-C4' energy: -84.873 flat angles P-C4'-P energy: -55.479 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: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -526.677950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.677950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.677950 (E_RNA) where: Base-Base interactions energy: -202.599 where: short stacking energy: -126.617 Base-Backbone interact. energy: -1.517 local terms energy: -322.561627 where: bonds (distance) C4'-P energy: -86.726 bonds (distance) P-C4' energy: -117.144 flat angles C4'-P-C4' energy: -90.364 flat angles P-C4'-P energy: -56.017 tors. eta vs tors. theta energy: 27.690 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: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2041.758935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.758935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.758935 (E_RNA) where: Base-Base interactions energy: -1384.242 where: short stacking energy: -587.796 Base-Backbone interact. energy: -1.097 local terms energy: -656.419958 where: bonds (distance) C4'-P energy: -131.857 bonds (distance) P-C4' energy: -129.114 flat angles C4'-P-C4' energy: -129.929 flat angles P-C4'-P energy: -85.769 tors. eta vs tors. theta energy: -179.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1936.445590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.445590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.445590 (E_RNA) where: Base-Base interactions energy: -1331.617 where: short stacking energy: -535.224 Base-Backbone interact. energy: -1.172 local terms energy: -603.656770 where: bonds (distance) C4'-P energy: -114.906 bonds (distance) P-C4' energy: -114.507 flat angles C4'-P-C4' energy: -130.217 flat angles P-C4'-P energy: -80.765 tors. eta vs tors. theta energy: -163.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1881.360960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.360960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.360960 (E_RNA) where: Base-Base interactions energy: -1267.959 where: short stacking energy: -551.100 Base-Backbone interact. energy: -1.902 local terms energy: -611.499745 where: bonds (distance) C4'-P energy: -106.825 bonds (distance) P-C4' energy: -115.443 flat angles C4'-P-C4' energy: -131.411 flat angles P-C4'-P energy: -85.630 tors. eta vs tors. theta energy: -172.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1771.584431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.584431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.584431 (E_RNA) where: Base-Base interactions energy: -1179.426 where: short stacking energy: -483.898 Base-Backbone interact. energy: -2.285 local terms energy: -589.872674 where: bonds (distance) C4'-P energy: -127.432 bonds (distance) P-C4' energy: -105.206 flat angles C4'-P-C4' energy: -128.111 flat angles P-C4'-P energy: -82.134 tors. eta vs tors. theta energy: -146.990 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: 1 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1573.834743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.834743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.834743 (E_RNA) where: Base-Base interactions energy: -1026.666 where: short stacking energy: -443.955 Base-Backbone interact. energy: -1.597 local terms energy: -545.571554 where: bonds (distance) C4'-P energy: -109.267 bonds (distance) P-C4' energy: -114.972 flat angles C4'-P-C4' energy: -125.922 flat angles P-C4'-P energy: -69.796 tors. eta vs tors. theta energy: -125.615 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: 4 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1392.510499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.510499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.510499 (E_RNA) where: Base-Base interactions energy: -891.456 where: short stacking energy: -383.618 Base-Backbone interact. energy: -2.640 local terms energy: -498.414136 where: bonds (distance) C4'-P energy: -108.792 bonds (distance) P-C4' energy: -105.138 flat angles C4'-P-C4' energy: -119.721 flat angles P-C4'-P energy: -77.373 tors. eta vs tors. theta energy: -87.391 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: 2 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1121.184599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.184599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.184599 (E_RNA) where: Base-Base interactions energy: -659.013 where: short stacking energy: -323.212 Base-Backbone interact. energy: 2.621 local terms energy: -464.792480 where: bonds (distance) C4'-P energy: -107.383 bonds (distance) P-C4' energy: -107.603 flat angles C4'-P-C4' energy: -111.732 flat angles P-C4'-P energy: -64.752 tors. eta vs tors. theta energy: -73.323 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: 8, replica: 8 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -643.803796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.803796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.803796 (E_RNA) where: Base-Base interactions energy: -275.130 where: short stacking energy: -168.880 Base-Backbone interact. energy: -1.774 local terms energy: -366.899771 where: bonds (distance) C4'-P energy: -111.010 bonds (distance) P-C4' energy: -90.886 flat angles C4'-P-C4' energy: -100.417 flat angles P-C4'-P energy: -69.930 tors. eta vs tors. theta energy: 5.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -645.662099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.662099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.662099 (E_RNA) where: Base-Base interactions energy: -290.743 where: short stacking energy: -151.577 Base-Backbone interact. energy: -3.210 local terms energy: -351.708986 where: bonds (distance) C4'-P energy: -107.322 bonds (distance) P-C4' energy: -119.404 flat angles C4'-P-C4' energy: -110.763 flat angles P-C4'-P energy: -37.243 tors. eta vs tors. theta energy: 23.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -544.365404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.365404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.365404 (E_RNA) where: Base-Base interactions energy: -223.017 where: short stacking energy: -137.480 Base-Backbone interact. energy: 1.073 local terms energy: -322.422105 where: bonds (distance) C4'-P energy: -85.314 bonds (distance) P-C4' energy: -106.920 flat angles C4'-P-C4' energy: -97.944 flat angles P-C4'-P energy: -49.108 tors. eta vs tors. theta energy: 16.863 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: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2028.205923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.205923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.205923 (E_RNA) where: Base-Base interactions energy: -1383.999 where: short stacking energy: -602.056 Base-Backbone interact. energy: -2.836 local terms energy: -641.371061 where: bonds (distance) C4'-P energy: -104.264 bonds (distance) P-C4' energy: -120.085 flat angles C4'-P-C4' energy: -135.246 flat angles P-C4'-P energy: -95.851 tors. eta vs tors. theta energy: -185.926 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: 2, replica: 10 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1963.355131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.355131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.355131 (E_RNA) where: Base-Base interactions energy: -1361.867 where: short stacking energy: -567.391 Base-Backbone interact. energy: 0.394 local terms energy: -601.882647 where: bonds (distance) C4'-P energy: -112.607 bonds (distance) P-C4' energy: -116.428 flat angles C4'-P-C4' energy: -129.759 flat angles P-C4'-P energy: -73.763 tors. eta vs tors. theta energy: -169.325 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: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1866.783376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.783376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.783376 (E_RNA) where: Base-Base interactions energy: -1270.977 where: short stacking energy: -555.585 Base-Backbone interact. energy: -4.507 local terms energy: -591.299335 where: bonds (distance) C4'-P energy: -106.735 bonds (distance) P-C4' energy: -120.137 flat angles C4'-P-C4' energy: -124.190 flat angles P-C4'-P energy: -79.928 tors. eta vs tors. theta energy: -160.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1759.770070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.770070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.770070 (E_RNA) where: Base-Base interactions energy: -1208.382 where: short stacking energy: -471.813 Base-Backbone interact. energy: -0.190 local terms energy: -551.197485 where: bonds (distance) C4'-P energy: -113.858 bonds (distance) P-C4' energy: -93.985 flat angles C4'-P-C4' energy: -130.301 flat angles P-C4'-P energy: -71.410 tors. eta vs tors. theta energy: -141.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1550.504686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.504686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.504686 (E_RNA) where: Base-Base interactions energy: -973.972 where: short stacking energy: -446.307 Base-Backbone interact. energy: -0.704 local terms energy: -575.828574 where: bonds (distance) C4'-P energy: -120.381 bonds (distance) P-C4' energy: -107.431 flat angles C4'-P-C4' energy: -125.030 flat angles P-C4'-P energy: -88.195 tors. eta vs tors. theta energy: -134.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1440.242010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.242010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.242010 (E_RNA) where: Base-Base interactions energy: -953.370 where: short stacking energy: -396.275 Base-Backbone interact. energy: -1.620 local terms energy: -485.251986 where: bonds (distance) C4'-P energy: -99.318 bonds (distance) P-C4' energy: -98.237 flat angles C4'-P-C4' energy: -115.313 flat angles P-C4'-P energy: -66.067 tors. eta vs tors. theta energy: -106.317 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: 2 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -967.921181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.921181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.921181 (E_RNA) where: Base-Base interactions energy: -564.461 where: short stacking energy: -274.797 Base-Backbone interact. energy: 1.147 local terms energy: -404.607094 where: bonds (distance) C4'-P energy: -108.177 bonds (distance) P-C4' energy: -99.715 flat angles C4'-P-C4' energy: -111.393 flat angles P-C4'-P energy: -59.940 tors. eta vs tors. theta energy: -25.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -731.386559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.386559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.386559 (E_RNA) where: Base-Base interactions energy: -336.634 where: short stacking energy: -214.388 Base-Backbone interact. energy: -1.028 local terms energy: -393.724047 where: bonds (distance) C4'-P energy: -94.979 bonds (distance) P-C4' energy: -110.817 flat angles C4'-P-C4' energy: -103.886 flat angles P-C4'-P energy: -62.928 tors. eta vs tors. theta energy: -21.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -623.382801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.382801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.382801 (E_RNA) where: Base-Base interactions energy: -316.788 where: short stacking energy: -174.568 Base-Backbone interact. energy: -1.226 local terms energy: -305.368779 where: bonds (distance) C4'-P energy: -93.965 bonds (distance) P-C4' energy: -103.345 flat angles C4'-P-C4' energy: -81.944 flat angles P-C4'-P energy: -32.650 tors. eta vs tors. theta energy: 6.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -482.975999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.975999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.975999 (E_RNA) where: Base-Base interactions energy: -159.426 where: short stacking energy: -121.815 Base-Backbone interact. energy: 1.496 local terms energy: -325.045518 where: bonds (distance) C4'-P energy: -108.037 bonds (distance) P-C4' energy: -102.786 flat angles C4'-P-C4' energy: -68.288 flat angles P-C4'-P energy: -67.113 tors. eta vs tors. theta energy: 21.178 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: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2029.180106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.180106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.180106 (E_RNA) where: Base-Base interactions energy: -1379.079 where: short stacking energy: -590.634 Base-Backbone interact. energy: 0.743 local terms energy: -650.844000 where: bonds (distance) C4'-P energy: -127.827 bonds (distance) P-C4' energy: -120.887 flat angles C4'-P-C4' energy: -144.226 flat angles P-C4'-P energy: -93.785 tors. eta vs tors. theta energy: -164.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1960.128933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.128933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.128933 (E_RNA) where: Base-Base interactions energy: -1365.849 where: short stacking energy: -575.679 Base-Backbone interact. energy: -1.767 local terms energy: -592.512784 where: bonds (distance) C4'-P energy: -109.971 bonds (distance) P-C4' energy: -121.879 flat angles C4'-P-C4' energy: -126.022 flat angles P-C4'-P energy: -77.870 tors. eta vs tors. theta energy: -156.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1888.354369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.354369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.354369 (E_RNA) where: Base-Base interactions energy: -1273.379 where: short stacking energy: -576.652 Base-Backbone interact. energy: -1.363 local terms energy: -613.612383 where: bonds (distance) C4'-P energy: -111.789 bonds (distance) P-C4' energy: -116.289 flat angles C4'-P-C4' energy: -133.144 flat angles P-C4'-P energy: -86.342 tors. eta vs tors. theta energy: -166.049 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: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1747.987312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.987312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.987312 (E_RNA) where: Base-Base interactions energy: -1158.053 where: short stacking energy: -475.241 Base-Backbone interact. energy: -0.430 local terms energy: -589.504287 where: bonds (distance) C4'-P energy: -111.812 bonds (distance) P-C4' energy: -118.056 flat angles C4'-P-C4' energy: -122.313 flat angles P-C4'-P energy: -94.271 tors. eta vs tors. theta energy: -143.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1551.035276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.035276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.035276 (E_RNA) where: Base-Base interactions energy: -1023.525 where: short stacking energy: -437.224 Base-Backbone interact. energy: 0.116 local terms energy: -527.626541 where: bonds (distance) C4'-P energy: -102.419 bonds (distance) P-C4' energy: -107.773 flat angles C4'-P-C4' energy: -130.373 flat angles P-C4'-P energy: -71.970 tors. eta vs tors. theta energy: -115.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1367.533554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.533554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.533554 (E_RNA) where: Base-Base interactions energy: -860.563 where: short stacking energy: -376.185 Base-Backbone interact. energy: 2.291 local terms energy: -509.261490 where: bonds (distance) C4'-P energy: -125.800 bonds (distance) P-C4' energy: -97.838 flat angles C4'-P-C4' energy: -122.880 flat angles P-C4'-P energy: -69.453 tors. eta vs tors. theta energy: -93.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -976.014426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.014426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.014426 (E_RNA) where: Base-Base interactions energy: -572.867 where: short stacking energy: -267.585 Base-Backbone interact. energy: -2.160 local terms energy: -400.987708 where: bonds (distance) C4'-P energy: -107.807 bonds (distance) P-C4' energy: -119.491 flat angles C4'-P-C4' energy: -89.636 flat angles P-C4'-P energy: -59.568 tors. eta vs tors. theta energy: -24.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -657.021311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.021311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.021311 (E_RNA) where: Base-Base interactions energy: -315.192 where: short stacking energy: -184.241 Base-Backbone interact. energy: -1.263 local terms energy: -340.566573 where: bonds (distance) C4'-P energy: -67.504 bonds (distance) P-C4' energy: -113.397 flat angles C4'-P-C4' energy: -100.111 flat angles P-C4'-P energy: -58.696 tors. eta vs tors. theta energy: -0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -620.100398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.100398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.100398 (E_RNA) where: Base-Base interactions energy: -299.979 where: short stacking energy: -176.135 Base-Backbone interact. energy: -2.067 local terms energy: -318.054806 where: bonds (distance) C4'-P energy: -64.430 bonds (distance) P-C4' energy: -119.136 flat angles C4'-P-C4' energy: -84.017 flat angles P-C4'-P energy: -52.095 tors. eta vs tors. theta energy: 1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -458.839907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.839907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.839907 (E_RNA) where: Base-Base interactions energy: -149.846 where: short stacking energy: -124.933 Base-Backbone interact. energy: 4.964 local terms energy: -313.957653 where: bonds (distance) C4'-P energy: -97.090 bonds (distance) P-C4' energy: -105.994 flat angles C4'-P-C4' energy: -88.008 flat angles P-C4'-P energy: -41.800 tors. eta vs tors. theta energy: 18.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2047.419323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.419323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.419323 (E_RNA) where: Base-Base interactions energy: -1364.476 where: short stacking energy: -585.464 Base-Backbone interact. energy: -2.577 local terms energy: -680.365729 where: bonds (distance) C4'-P energy: -131.792 bonds (distance) P-C4' energy: -127.706 flat angles C4'-P-C4' energy: -141.470 flat angles P-C4'-P energy: -96.408 tors. eta vs tors. theta energy: -182.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1974.477810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.477810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.477810 (E_RNA) where: Base-Base interactions energy: -1353.885 where: short stacking energy: -577.150 Base-Backbone interact. energy: -0.401 local terms energy: -620.191762 where: bonds (distance) C4'-P energy: -109.261 bonds (distance) P-C4' energy: -115.144 flat angles C4'-P-C4' energy: -134.286 flat angles P-C4'-P energy: -87.156 tors. eta vs tors. theta energy: -174.345 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: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1890.254743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.254743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.254743 (E_RNA) where: Base-Base interactions energy: -1244.617 where: short stacking energy: -535.571 Base-Backbone interact. energy: -2.359 local terms energy: -643.278883 where: bonds (distance) C4'-P energy: -113.149 bonds (distance) P-C4' energy: -122.103 flat angles C4'-P-C4' energy: -137.632 flat angles P-C4'-P energy: -101.541 tors. eta vs tors. theta energy: -168.853 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: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1748.535368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.535368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.535368 (E_RNA) where: Base-Base interactions energy: -1182.719 where: short stacking energy: -492.654 Base-Backbone interact. energy: -3.062 local terms energy: -562.753887 where: bonds (distance) C4'-P energy: -122.981 bonds (distance) P-C4' energy: -103.295 flat angles C4'-P-C4' energy: -124.470 flat angles P-C4'-P energy: -77.337 tors. eta vs tors. theta energy: -134.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1566.273594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.273594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.273594 (E_RNA) where: Base-Base interactions energy: -1032.078 where: short stacking energy: -451.584 Base-Backbone interact. energy: -0.782 local terms energy: -533.413116 where: bonds (distance) C4'-P energy: -120.088 bonds (distance) P-C4' energy: -101.903 flat angles C4'-P-C4' energy: -123.467 flat angles P-C4'-P energy: -67.746 tors. eta vs tors. theta energy: -120.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1369.526811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.526811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.526811 (E_RNA) where: Base-Base interactions energy: -876.208 where: short stacking energy: -389.285 Base-Backbone interact. energy: 2.333 local terms energy: -495.651789 where: bonds (distance) C4'-P energy: -115.940 bonds (distance) P-C4' energy: -103.844 flat angles C4'-P-C4' energy: -105.886 flat angles P-C4'-P energy: -70.939 tors. eta vs tors. theta energy: -99.043 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: 2 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1010.153479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.153479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.153479 (E_RNA) where: Base-Base interactions energy: -601.240 where: short stacking energy: -292.436 Base-Backbone interact. energy: -3.144 local terms energy: -405.768718 where: bonds (distance) C4'-P energy: -108.714 bonds (distance) P-C4' energy: -110.519 flat angles C4'-P-C4' energy: -80.173 flat angles P-C4'-P energy: -72.696 tors. eta vs tors. theta energy: -33.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -649.747518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.747518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.747518 (E_RNA) where: Base-Base interactions energy: -303.344 where: short stacking energy: -216.220 Base-Backbone interact. energy: 4.615 local terms energy: -351.017971 where: bonds (distance) C4'-P energy: -108.096 bonds (distance) P-C4' energy: -114.060 flat angles C4'-P-C4' energy: -96.992 flat angles P-C4'-P energy: -27.683 tors. eta vs tors. theta energy: -4.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -642.410084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.410084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.410084 (E_RNA) where: Base-Base interactions energy: -315.516 where: short stacking energy: -176.350 Base-Backbone interact. energy: -0.765 local terms energy: -326.128629 where: bonds (distance) C4'-P energy: -101.563 bonds (distance) P-C4' energy: -96.809 flat angles C4'-P-C4' energy: -82.486 flat angles P-C4'-P energy: -46.456 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: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -456.763585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.763585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.763585 (E_RNA) where: Base-Base interactions energy: -157.982 where: short stacking energy: -131.353 Base-Backbone interact. energy: 0.159 local terms energy: -298.941011 where: bonds (distance) C4'-P energy: -93.832 bonds (distance) P-C4' energy: -101.290 flat angles C4'-P-C4' energy: -82.181 flat angles P-C4'-P energy: -36.213 tors. eta vs tors. theta energy: 14.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2031.456672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.456672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.456672 (E_RNA) where: Base-Base interactions energy: -1365.619 where: short stacking energy: -576.034 Base-Backbone interact. energy: -4.389 local terms energy: -661.448611 where: bonds (distance) C4'-P energy: -126.499 bonds (distance) P-C4' energy: -124.027 flat angles C4'-P-C4' energy: -134.658 flat angles P-C4'-P energy: -100.647 tors. eta vs tors. theta energy: -175.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1911.216467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.216467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.216467 (E_RNA) where: Base-Base interactions energy: -1283.810 where: short stacking energy: -528.506 Base-Backbone interact. energy: 3.217 local terms energy: -630.622905 where: bonds (distance) C4'-P energy: -113.898 bonds (distance) P-C4' energy: -135.414 flat angles C4'-P-C4' energy: -122.666 flat angles P-C4'-P energy: -89.454 tors. eta vs tors. theta energy: -169.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1836.091390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.091390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.091390 (E_RNA) where: Base-Base interactions energy: -1254.491 where: short stacking energy: -545.448 Base-Backbone interact. energy: -1.457 local terms energy: -580.143192 where: bonds (distance) C4'-P energy: -114.006 bonds (distance) P-C4' energy: -111.309 flat angles C4'-P-C4' energy: -125.258 flat angles P-C4'-P energy: -75.692 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: 4, replica: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1782.320211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.320211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.320211 (E_RNA) where: Base-Base interactions energy: -1218.918 where: short stacking energy: -500.960 Base-Backbone interact. energy: -2.504 local terms energy: -560.898492 where: bonds (distance) C4'-P energy: -96.949 bonds (distance) P-C4' energy: -107.468 flat angles C4'-P-C4' energy: -125.697 flat angles P-C4'-P energy: -87.615 tors. eta vs tors. theta energy: -143.171 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: 1 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1557.466693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.466693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.466693 (E_RNA) where: Base-Base interactions energy: -1014.846 where: short stacking energy: -452.578 Base-Backbone interact. energy: 3.318 local terms energy: -545.939111 where: bonds (distance) C4'-P energy: -109.501 bonds (distance) P-C4' energy: -94.713 flat angles C4'-P-C4' energy: -121.764 flat angles P-C4'-P energy: -88.195 tors. eta vs tors. theta energy: -131.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1322.507034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.507034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.507034 (E_RNA) where: Base-Base interactions energy: -828.362 where: short stacking energy: -381.066 Base-Backbone interact. energy: -2.313 local terms energy: -491.832062 where: bonds (distance) C4'-P energy: -106.060 bonds (distance) P-C4' energy: -106.746 flat angles C4'-P-C4' energy: -123.941 flat angles P-C4'-P energy: -63.748 tors. eta vs tors. theta energy: -91.338 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: 2 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1027.588038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.588038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.588038 (E_RNA) where: Base-Base interactions energy: -595.636 where: short stacking energy: -279.887 Base-Backbone interact. energy: -1.920 local terms energy: -430.032115 where: bonds (distance) C4'-P energy: -106.290 bonds (distance) P-C4' energy: -123.282 flat angles C4'-P-C4' energy: -104.592 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -36.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -714.047579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.047579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.047579 (E_RNA) where: Base-Base interactions energy: -375.359 where: short stacking energy: -192.115 Base-Backbone interact. energy: 1.349 local terms energy: -340.038270 where: bonds (distance) C4'-P energy: -107.416 bonds (distance) P-C4' energy: -102.072 flat angles C4'-P-C4' energy: -82.715 flat angles P-C4'-P energy: -47.919 tors. eta vs tors. theta energy: 0.084 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: 8 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -597.797522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.797522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.797522 (E_RNA) where: Base-Base interactions energy: -247.310 where: short stacking energy: -150.218 Base-Backbone interact. energy: -1.415 local terms energy: -349.073312 where: bonds (distance) C4'-P energy: -99.564 bonds (distance) P-C4' energy: -100.035 flat angles C4'-P-C4' energy: -94.902 flat angles P-C4'-P energy: -61.252 tors. eta vs tors. theta energy: 6.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -527.043861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.043861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.043861 (E_RNA) where: Base-Base interactions energy: -208.122 where: short stacking energy: -141.336 Base-Backbone interact. energy: 3.392 local terms energy: -322.313333 where: bonds (distance) C4'-P energy: -89.117 bonds (distance) P-C4' energy: -104.948 flat angles C4'-P-C4' energy: -80.883 flat angles P-C4'-P energy: -51.461 tors. eta vs tors. theta energy: 4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2018.036025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.036025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.036025 (E_RNA) where: Base-Base interactions energy: -1351.500 where: short stacking energy: -594.653 Base-Backbone interact. energy: -3.858 local terms energy: -662.678117 where: bonds (distance) C4'-P energy: -115.013 bonds (distance) P-C4' energy: -134.311 flat angles C4'-P-C4' energy: -143.704 flat angles P-C4'-P energy: -92.088 tors. eta vs tors. theta energy: -177.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1948.748170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.748170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.748170 (E_RNA) where: Base-Base interactions energy: -1295.827 where: short stacking energy: -547.897 Base-Backbone interact. energy: -1.056 local terms energy: -651.865831 where: bonds (distance) C4'-P energy: -134.643 bonds (distance) P-C4' energy: -124.286 flat angles C4'-P-C4' energy: -135.693 flat angles P-C4'-P energy: -92.216 tors. eta vs tors. theta energy: -165.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1856.263110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.263110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.263110 (E_RNA) where: Base-Base interactions energy: -1288.654 where: short stacking energy: -525.452 Base-Backbone interact. energy: 1.329 local terms energy: -568.937927 where: bonds (distance) C4'-P energy: -112.240 bonds (distance) P-C4' energy: -94.771 flat angles C4'-P-C4' energy: -128.387 flat angles P-C4'-P energy: -73.988 tors. eta vs tors. theta energy: -159.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1797.418661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.418661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.418661 (E_RNA) where: Base-Base interactions energy: -1201.142 where: short stacking energy: -472.856 Base-Backbone interact. energy: -2.270 local terms energy: -594.006487 where: bonds (distance) C4'-P energy: -119.394 bonds (distance) P-C4' energy: -116.405 flat angles C4'-P-C4' energy: -131.908 flat angles P-C4'-P energy: -86.662 tors. eta vs tors. theta energy: -139.637 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: 1 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1617.004068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.004068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.004068 (E_RNA) where: Base-Base interactions energy: -1069.028 where: short stacking energy: -434.818 Base-Backbone interact. energy: -0.827 local terms energy: -547.148600 where: bonds (distance) C4'-P energy: -120.741 bonds (distance) P-C4' energy: -106.480 flat angles C4'-P-C4' energy: -123.811 flat angles P-C4'-P energy: -67.566 tors. eta vs tors. theta energy: -128.550 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: 4 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1276.777636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.777636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.777636 (E_RNA) where: Base-Base interactions energy: -800.302 where: short stacking energy: -363.368 Base-Backbone interact. energy: 1.073 local terms energy: -477.548153 where: bonds (distance) C4'-P energy: -101.470 bonds (distance) P-C4' energy: -107.031 flat angles C4'-P-C4' energy: -104.655 flat angles P-C4'-P energy: -84.440 tors. eta vs tors. theta energy: -79.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1014.113956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.113956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.113956 (E_RNA) where: Base-Base interactions energy: -560.716 where: short stacking energy: -267.615 Base-Backbone interact. energy: -0.656 local terms energy: -452.741921 where: bonds (distance) C4'-P energy: -110.650 bonds (distance) P-C4' energy: -104.718 flat angles C4'-P-C4' energy: -104.092 flat angles P-C4'-P energy: -84.731 tors. eta vs tors. theta energy: -48.551 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: 8, replica: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -700.277271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.277271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.277271 (E_RNA) where: Base-Base interactions energy: -339.231 where: short stacking energy: -179.526 Base-Backbone interact. energy: 1.149 local terms energy: -362.195395 where: bonds (distance) C4'-P energy: -110.873 bonds (distance) P-C4' energy: -94.635 flat angles C4'-P-C4' energy: -96.768 flat angles P-C4'-P energy: -56.959 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -604.849059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.849059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.849059 (E_RNA) where: Base-Base interactions energy: -268.504 where: short stacking energy: -148.409 Base-Backbone interact. energy: 14.991 local terms energy: -351.335561 where: bonds (distance) C4'-P energy: -101.758 bonds (distance) P-C4' energy: -108.103 flat angles C4'-P-C4' energy: -107.377 flat angles P-C4'-P energy: -45.780 tors. eta vs tors. theta energy: 11.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -565.395732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.395732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.395732 (E_RNA) where: Base-Base interactions energy: -237.326 where: short stacking energy: -141.609 Base-Backbone interact. energy: 0.245 local terms energy: -328.314788 where: bonds (distance) C4'-P energy: -91.210 bonds (distance) P-C4' energy: -110.465 flat angles C4'-P-C4' energy: -88.779 flat angles P-C4'-P energy: -56.335 tors. eta vs tors. theta energy: 18.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2063.356207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.356207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.356207 (E_RNA) where: Base-Base interactions energy: -1417.200 where: short stacking energy: -602.770 Base-Backbone interact. energy: -3.129 local terms energy: -643.027243 where: bonds (distance) C4'-P energy: -129.635 bonds (distance) P-C4' energy: -119.665 flat angles C4'-P-C4' energy: -138.661 flat angles P-C4'-P energy: -78.543 tors. eta vs tors. theta energy: -176.524 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: 10 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1935.933944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.933944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.933944 (E_RNA) where: Base-Base interactions energy: -1343.816 where: short stacking energy: -532.664 Base-Backbone interact. energy: -0.470 local terms energy: -591.648184 where: bonds (distance) C4'-P energy: -109.746 bonds (distance) P-C4' energy: -99.924 flat angles C4'-P-C4' energy: -136.611 flat angles P-C4'-P energy: -90.535 tors. eta vs tors. theta energy: -154.831 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: 5 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1840.666157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.666157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.666157 (E_RNA) where: Base-Base interactions energy: -1251.854 where: short stacking energy: -519.416 Base-Backbone interact. energy: 1.530 local terms energy: -590.342075 where: bonds (distance) C4'-P energy: -115.680 bonds (distance) P-C4' energy: -122.166 flat angles C4'-P-C4' energy: -128.762 flat angles P-C4'-P energy: -75.014 tors. eta vs tors. theta energy: -148.720 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: 123 Temperature: 1.050000 Total energy: -1797.302939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.302939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.302939 (E_RNA) where: Base-Base interactions energy: -1241.761 where: short stacking energy: -495.918 Base-Backbone interact. energy: -3.214 local terms energy: -552.327440 where: bonds (distance) C4'-P energy: -114.318 bonds (distance) P-C4' energy: -107.420 flat angles C4'-P-C4' energy: -120.892 flat angles P-C4'-P energy: -67.900 tors. eta vs tors. theta energy: -141.797 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: 1 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1622.453418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.453418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.453418 (E_RNA) where: Base-Base interactions energy: -1073.356 where: short stacking energy: -476.478 Base-Backbone interact. energy: 0.020 local terms energy: -549.118133 where: bonds (distance) C4'-P energy: -110.818 bonds (distance) P-C4' energy: -107.499 flat angles C4'-P-C4' energy: -123.077 flat angles P-C4'-P energy: -75.916 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: 6, replica: 4 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1285.012681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.012681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.012681 (E_RNA) where: Base-Base interactions energy: -801.603 where: short stacking energy: -366.158 Base-Backbone interact. energy: 0.752 local terms energy: -484.161556 where: bonds (distance) C4'-P energy: -108.230 bonds (distance) P-C4' energy: -89.432 flat angles C4'-P-C4' energy: -114.630 flat angles P-C4'-P energy: -80.396 tors. eta vs tors. theta energy: -91.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1101.318711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.318711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.318711 (E_RNA) where: Base-Base interactions energy: -670.378 where: short stacking energy: -348.362 Base-Backbone interact. energy: -0.038 local terms energy: -430.902774 where: bonds (distance) C4'-P energy: -104.414 bonds (distance) P-C4' energy: -90.015 flat angles C4'-P-C4' energy: -91.686 flat angles P-C4'-P energy: -66.762 tors. eta vs tors. theta energy: -78.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -670.667566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.667566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.667566 (E_RNA) where: Base-Base interactions energy: -326.590 where: short stacking energy: -204.370 Base-Backbone interact. energy: -1.341 local terms energy: -342.736440 where: bonds (distance) C4'-P energy: -79.973 bonds (distance) P-C4' energy: -112.542 flat angles C4'-P-C4' energy: -81.751 flat angles P-C4'-P energy: -66.307 tors. eta vs tors. theta energy: -2.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -583.341420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.341420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.341420 (E_RNA) where: Base-Base interactions energy: -243.094 where: short stacking energy: -161.171 Base-Backbone interact. energy: 0.989 local terms energy: -341.236690 where: bonds (distance) C4'-P energy: -89.241 bonds (distance) P-C4' energy: -111.355 flat angles C4'-P-C4' energy: -90.175 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: 10.794 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: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -553.043039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.043039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.043039 (E_RNA) where: Base-Base interactions energy: -214.141 where: short stacking energy: -155.816 Base-Backbone interact. energy: 2.382 local terms energy: -341.283818 where: bonds (distance) C4'-P energy: -107.507 bonds (distance) P-C4' energy: -108.766 flat angles C4'-P-C4' energy: -96.888 flat angles P-C4'-P energy: -37.381 tors. eta vs tors. theta energy: 9.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2075.041436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.041436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.041436 (E_RNA) where: Base-Base interactions energy: -1414.425 where: short stacking energy: -594.738 Base-Backbone interact. energy: -1.937 local terms energy: -658.679922 where: bonds (distance) C4'-P energy: -132.497 bonds (distance) P-C4' energy: -120.259 flat angles C4'-P-C4' energy: -130.667 flat angles P-C4'-P energy: -87.696 tors. eta vs tors. theta energy: -187.561 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: 2, replica: 10 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1956.295082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.295082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.295082 (E_RNA) where: Base-Base interactions energy: -1341.378 where: short stacking energy: -553.030 Base-Backbone interact. energy: -2.933 local terms energy: -611.984709 where: bonds (distance) C4'-P energy: -130.514 bonds (distance) P-C4' energy: -114.668 flat angles C4'-P-C4' energy: -136.651 flat angles P-C4'-P energy: -75.279 tors. eta vs tors. theta energy: -154.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1825.997205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.997205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.997205 (E_RNA) where: Base-Base interactions energy: -1245.022 where: short stacking energy: -530.779 Base-Backbone interact. energy: -2.743 local terms energy: -578.232438 where: bonds (distance) C4'-P energy: -102.262 bonds (distance) P-C4' energy: -107.188 flat angles C4'-P-C4' energy: -127.937 flat angles P-C4'-P energy: -85.046 tors. eta vs tors. theta energy: -155.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1753.357861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.357861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.357861 (E_RNA) where: Base-Base interactions energy: -1185.191 where: short stacking energy: -518.423 Base-Backbone interact. energy: -1.034 local terms energy: -567.132820 where: bonds (distance) C4'-P energy: -109.636 bonds (distance) P-C4' energy: -109.440 flat angles C4'-P-C4' energy: -127.301 flat angles P-C4'-P energy: -78.358 tors. eta vs tors. theta energy: -142.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1577.586535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.586535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.586535 (E_RNA) where: Base-Base interactions energy: -1047.514 where: short stacking energy: -452.255 Base-Backbone interact. energy: 0.040 local terms energy: -530.112659 where: bonds (distance) C4'-P energy: -105.601 bonds (distance) P-C4' energy: -85.472 flat angles C4'-P-C4' energy: -128.263 flat angles P-C4'-P energy: -78.881 tors. eta vs tors. theta energy: -131.895 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: 4 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1295.800318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.800318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.800318 (E_RNA) where: Base-Base interactions energy: -813.794 where: short stacking energy: -375.903 Base-Backbone interact. energy: -2.706 local terms energy: -479.300861 where: bonds (distance) C4'-P energy: -94.691 bonds (distance) P-C4' energy: -120.511 flat angles C4'-P-C4' energy: -114.511 flat angles P-C4'-P energy: -62.651 tors. eta vs tors. theta energy: -86.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1034.834548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.834548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.834548 (E_RNA) where: Base-Base interactions energy: -619.810 where: short stacking energy: -305.073 Base-Backbone interact. energy: -3.601 local terms energy: -411.423776 where: bonds (distance) C4'-P energy: -102.562 bonds (distance) P-C4' energy: -102.494 flat angles C4'-P-C4' energy: -91.248 flat angles P-C4'-P energy: -57.759 tors. eta vs tors. theta energy: -57.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -715.445262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.445262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.445262 (E_RNA) where: Base-Base interactions energy: -345.524 where: short stacking energy: -220.199 Base-Backbone interact. energy: -1.391 local terms energy: -368.529958 where: bonds (distance) C4'-P energy: -86.513 bonds (distance) P-C4' energy: -108.849 flat angles C4'-P-C4' energy: -112.041 flat angles P-C4'-P energy: -61.358 tors. eta vs tors. theta energy: 0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -579.384608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.384608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.384608 (E_RNA) where: Base-Base interactions energy: -256.562 where: short stacking energy: -157.526 Base-Backbone interact. energy: -3.136 local terms energy: -319.687009 where: bonds (distance) C4'-P energy: -90.919 bonds (distance) P-C4' energy: -94.271 flat angles C4'-P-C4' energy: -92.404 flat angles P-C4'-P energy: -53.331 tors. eta vs tors. theta energy: 11.238 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: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -545.892435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.892435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.892435 (E_RNA) where: Base-Base interactions energy: -202.904 where: short stacking energy: -150.352 Base-Backbone interact. energy: 1.039 local terms energy: -344.026612 where: bonds (distance) C4'-P energy: -117.407 bonds (distance) P-C4' energy: -92.438 flat angles C4'-P-C4' energy: -86.669 flat angles P-C4'-P energy: -55.684 tors. eta vs tors. theta energy: 8.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2047.326899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.326899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.326899 (E_RNA) where: Base-Base interactions energy: -1379.238 where: short stacking energy: -587.419 Base-Backbone interact. energy: -2.579 local terms energy: -665.509341 where: bonds (distance) C4'-P energy: -110.267 bonds (distance) P-C4' energy: -122.240 flat angles C4'-P-C4' energy: -138.231 flat angles P-C4'-P energy: -104.877 tors. eta vs tors. theta energy: -189.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1924.018320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.018320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.018320 (E_RNA) where: Base-Base interactions energy: -1324.787 where: short stacking energy: -547.488 Base-Backbone interact. energy: -0.987 local terms energy: -598.244653 where: bonds (distance) C4'-P energy: -115.652 bonds (distance) P-C4' energy: -107.657 flat angles C4'-P-C4' energy: -132.795 flat angles P-C4'-P energy: -75.891 tors. eta vs tors. theta energy: -166.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1824.636214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.636214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.636214 (E_RNA) where: Base-Base interactions energy: -1217.953 where: short stacking energy: -524.480 Base-Backbone interact. energy: -0.134 local terms energy: -606.548967 where: bonds (distance) C4'-P energy: -121.737 bonds (distance) P-C4' energy: -112.443 flat angles C4'-P-C4' energy: -129.687 flat angles P-C4'-P energy: -88.745 tors. eta vs tors. theta energy: -153.937 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: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1786.185068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.185068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.185068 (E_RNA) where: Base-Base interactions energy: -1183.025 where: short stacking energy: -536.454 Base-Backbone interact. energy: -2.677 local terms energy: -600.482930 where: bonds (distance) C4'-P energy: -111.931 bonds (distance) P-C4' energy: -123.056 flat angles C4'-P-C4' energy: -126.641 flat angles P-C4'-P energy: -83.591 tors. eta vs tors. theta energy: -155.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1575.512742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.512742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.512742 (E_RNA) where: Base-Base interactions energy: -1037.994 where: short stacking energy: -473.991 Base-Backbone interact. energy: 1.945 local terms energy: -539.464244 where: bonds (distance) C4'-P energy: -93.371 bonds (distance) P-C4' energy: -100.042 flat angles C4'-P-C4' energy: -119.160 flat angles P-C4'-P energy: -89.032 tors. eta vs tors. theta energy: -137.860 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: 4 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1331.669324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.669324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.669324 (E_RNA) where: Base-Base interactions energy: -847.697 where: short stacking energy: -383.789 Base-Backbone interact. energy: -2.501 local terms energy: -481.471666 where: bonds (distance) C4'-P energy: -91.501 bonds (distance) P-C4' energy: -91.220 flat angles C4'-P-C4' energy: -105.712 flat angles P-C4'-P energy: -87.106 tors. eta vs tors. theta energy: -105.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1059.693495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.693495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.693495 (E_RNA) where: Base-Base interactions energy: -638.824 where: short stacking energy: -284.715 Base-Backbone interact. energy: -3.601 local terms energy: -417.268513 where: bonds (distance) C4'-P energy: -90.243 bonds (distance) P-C4' energy: -99.625 flat angles C4'-P-C4' energy: -99.869 flat angles P-C4'-P energy: -70.307 tors. eta vs tors. theta energy: -57.224 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: 125 Temperature: 1.250000 Total energy: -720.547469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.547469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.547469 (E_RNA) where: Base-Base interactions energy: -355.725 where: short stacking energy: -198.452 Base-Backbone interact. energy: 2.277 local terms energy: -367.099664 where: bonds (distance) C4'-P energy: -108.522 bonds (distance) P-C4' energy: -108.666 flat angles C4'-P-C4' energy: -85.634 flat angles P-C4'-P energy: -66.205 tors. eta vs tors. theta energy: 1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -533.564936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.564936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.564936 (E_RNA) where: Base-Base interactions energy: -198.201 where: short stacking energy: -140.413 Base-Backbone interact. energy: 1.873 local terms energy: -337.236570 where: bonds (distance) C4'-P energy: -99.944 bonds (distance) P-C4' energy: -103.559 flat angles C4'-P-C4' energy: -88.399 flat angles P-C4'-P energy: -54.818 tors. eta vs tors. theta energy: 9.483 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: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -554.716578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.716578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.716578 (E_RNA) where: Base-Base interactions energy: -263.266 where: short stacking energy: -152.524 Base-Backbone interact. energy: 1.017 local terms energy: -292.468137 where: bonds (distance) C4'-P energy: -113.634 bonds (distance) P-C4' energy: -102.176 flat angles C4'-P-C4' energy: -80.142 flat angles P-C4'-P energy: -24.950 tors. eta vs tors. theta energy: 28.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2026.252774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.252774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.252774 (E_RNA) where: Base-Base interactions energy: -1377.869 where: short stacking energy: -570.155 Base-Backbone interact. energy: -1.676 local terms energy: -646.707855 where: bonds (distance) C4'-P energy: -123.704 bonds (distance) P-C4' energy: -128.448 flat angles C4'-P-C4' energy: -132.370 flat angles P-C4'-P energy: -84.450 tors. eta vs tors. theta energy: -177.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1936.747308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.747308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.747308 (E_RNA) where: Base-Base interactions energy: -1300.035 where: short stacking energy: -548.690 Base-Backbone interact. energy: -0.940 local terms energy: -635.772804 where: bonds (distance) C4'-P energy: -127.217 bonds (distance) P-C4' energy: -113.643 flat angles C4'-P-C4' energy: -132.753 flat angles P-C4'-P energy: -92.741 tors. eta vs tors. theta energy: -169.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1846.511046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.511046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.511046 (E_RNA) where: Base-Base interactions energy: -1248.696 where: short stacking energy: -534.027 Base-Backbone interact. energy: 0.287 local terms energy: -598.102722 where: bonds (distance) C4'-P energy: -116.396 bonds (distance) P-C4' energy: -103.715 flat angles C4'-P-C4' energy: -125.198 flat angles P-C4'-P energy: -95.006 tors. eta vs tors. theta energy: -157.788 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: 3 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1806.023642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.023642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.023642 (E_RNA) where: Base-Base interactions energy: -1247.480 where: short stacking energy: -520.155 Base-Backbone interact. energy: 5.666 local terms energy: -564.209836 where: bonds (distance) C4'-P energy: -110.388 bonds (distance) P-C4' energy: -101.841 flat angles C4'-P-C4' energy: -114.817 flat angles P-C4'-P energy: -81.066 tors. eta vs tors. theta energy: -156.099 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: 1 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1597.881776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.881776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.881776 (E_RNA) where: Base-Base interactions energy: -1027.422 where: short stacking energy: -451.423 Base-Backbone interact. energy: -1.530 local terms energy: -568.929243 where: bonds (distance) C4'-P energy: -109.675 bonds (distance) P-C4' energy: -113.369 flat angles C4'-P-C4' energy: -126.628 flat angles P-C4'-P energy: -75.965 tors. eta vs tors. theta energy: -143.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1295.967347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.967347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.967347 (E_RNA) where: Base-Base interactions energy: -832.746 where: short stacking energy: -370.388 Base-Backbone interact. energy: -2.974 local terms energy: -460.247513 where: bonds (distance) C4'-P energy: -94.648 bonds (distance) P-C4' energy: -117.929 flat angles C4'-P-C4' energy: -97.033 flat angles P-C4'-P energy: -67.107 tors. eta vs tors. theta energy: -83.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1070.096078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.096078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.096078 (E_RNA) where: Base-Base interactions energy: -616.900 where: short stacking energy: -299.992 Base-Backbone interact. energy: -0.522 local terms energy: -452.674134 where: bonds (distance) C4'-P energy: -100.876 bonds (distance) P-C4' energy: -114.525 flat angles C4'-P-C4' energy: -100.677 flat angles P-C4'-P energy: -67.859 tors. eta vs tors. theta energy: -68.737 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: 6 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -714.132300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.132300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.132300 (E_RNA) where: Base-Base interactions energy: -327.149 where: short stacking energy: -199.280 Base-Backbone interact. energy: 0.473 local terms energy: -387.456336 where: bonds (distance) C4'-P energy: -103.083 bonds (distance) P-C4' energy: -102.500 flat angles C4'-P-C4' energy: -95.056 flat angles P-C4'-P energy: -75.214 tors. eta vs tors. theta energy: -11.604 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: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -586.838574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.838574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.838574 (E_RNA) where: Base-Base interactions energy: -250.609 where: short stacking energy: -161.449 Base-Backbone interact. energy: -1.950 local terms energy: -334.279569 where: bonds (distance) C4'-P energy: -95.717 bonds (distance) P-C4' energy: -111.925 flat angles C4'-P-C4' energy: -79.344 flat angles P-C4'-P energy: -40.310 tors. eta vs tors. theta energy: -6.983 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: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -460.683828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.683828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.683828 (E_RNA) where: Base-Base interactions energy: -174.168 where: short stacking energy: -125.563 Base-Backbone interact. energy: 2.218 local terms energy: -288.734189 where: bonds (distance) C4'-P energy: -96.797 bonds (distance) P-C4' energy: -92.439 flat angles C4'-P-C4' energy: -80.862 flat angles P-C4'-P energy: -48.720 tors. eta vs tors. theta energy: 30.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2052.341841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.341841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.341841 (E_RNA) where: Base-Base interactions energy: -1397.618 where: short stacking energy: -598.625 Base-Backbone interact. energy: -3.189 local terms energy: -651.534561 where: bonds (distance) C4'-P energy: -112.601 bonds (distance) P-C4' energy: -123.893 flat angles C4'-P-C4' energy: -140.175 flat angles P-C4'-P energy: -88.759 tors. eta vs tors. theta energy: -186.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1938.166586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.166586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.166586 (E_RNA) where: Base-Base interactions energy: -1288.648 where: short stacking energy: -556.313 Base-Backbone interact. energy: -4.109 local terms energy: -645.409292 where: bonds (distance) C4'-P energy: -133.897 bonds (distance) P-C4' energy: -105.772 flat angles C4'-P-C4' energy: -132.652 flat angles P-C4'-P energy: -95.272 tors. eta vs tors. theta energy: -177.816 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: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1884.387249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.387249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.387249 (E_RNA) where: Base-Base interactions energy: -1288.916 where: short stacking energy: -552.415 Base-Backbone interact. energy: 1.961 local terms energy: -597.432646 where: bonds (distance) C4'-P energy: -105.070 bonds (distance) P-C4' energy: -117.944 flat angles C4'-P-C4' energy: -120.788 flat angles P-C4'-P energy: -84.210 tors. eta vs tors. theta energy: -169.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1811.944574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.944574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.944574 (E_RNA) where: Base-Base interactions energy: -1229.156 where: short stacking energy: -502.796 Base-Backbone interact. energy: -3.809 local terms energy: -578.979997 where: bonds (distance) C4'-P energy: -112.126 bonds (distance) P-C4' energy: -108.935 flat angles C4'-P-C4' energy: -126.087 flat angles P-C4'-P energy: -79.923 tors. eta vs tors. theta energy: -151.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1627.705007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.705007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.705007 (E_RNA) where: Base-Base interactions energy: -1081.328 where: short stacking energy: -458.269 Base-Backbone interact. energy: -3.257 local terms energy: -543.119580 where: bonds (distance) C4'-P energy: -104.269 bonds (distance) P-C4' energy: -106.269 flat angles C4'-P-C4' energy: -118.837 flat angles P-C4'-P energy: -75.427 tors. eta vs tors. theta energy: -138.318 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: 4 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1289.796386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.796386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.796386 (E_RNA) where: Base-Base interactions energy: -805.858 where: short stacking energy: -350.053 Base-Backbone interact. energy: 2.081 local terms energy: -486.019556 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -110.280 flat angles C4'-P-C4' energy: -108.898 flat angles P-C4'-P energy: -73.985 tors. eta vs tors. theta energy: -95.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1051.745204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.745204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.745204 (E_RNA) where: Base-Base interactions energy: -645.695 where: short stacking energy: -280.918 Base-Backbone interact. energy: 4.845 local terms energy: -410.894585 where: bonds (distance) C4'-P energy: -116.669 bonds (distance) P-C4' energy: -110.493 flat angles C4'-P-C4' energy: -107.829 flat angles P-C4'-P energy: -46.213 tors. eta vs tors. theta energy: -29.691 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: 6 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -734.775135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.775135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.775135 (E_RNA) where: Base-Base interactions energy: -368.103 where: short stacking energy: -233.447 Base-Backbone interact. energy: 0.199 local terms energy: -366.870948 where: bonds (distance) C4'-P energy: -109.109 bonds (distance) P-C4' energy: -82.446 flat angles C4'-P-C4' energy: -101.009 flat angles P-C4'-P energy: -57.373 tors. eta vs tors. theta energy: -16.935 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: 8 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -591.734061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.734061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.734061 (E_RNA) where: Base-Base interactions energy: -237.951 where: short stacking energy: -159.508 Base-Backbone interact. energy: 3.631 local terms energy: -357.413558 where: bonds (distance) C4'-P energy: -105.644 bonds (distance) P-C4' energy: -106.176 flat angles C4'-P-C4' energy: -92.953 flat angles P-C4'-P energy: -57.729 tors. eta vs tors. theta energy: 5.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -475.573555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.573555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.573555 (E_RNA) where: Base-Base interactions energy: -193.578 where: short stacking energy: -122.396 Base-Backbone interact. energy: 7.153 local terms energy: -289.149070 where: bonds (distance) C4'-P energy: -87.194 bonds (distance) P-C4' energy: -103.390 flat angles C4'-P-C4' energy: -76.555 flat angles P-C4'-P energy: -59.878 tors. eta vs tors. theta energy: 37.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2072.595860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.595860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.595860 (E_RNA) where: Base-Base interactions energy: -1389.936 where: short stacking energy: -600.697 Base-Backbone interact. energy: -0.609 local terms energy: -682.050239 where: bonds (distance) C4'-P energy: -131.910 bonds (distance) P-C4' energy: -124.014 flat angles C4'-P-C4' energy: -133.710 flat angles P-C4'-P energy: -100.711 tors. eta vs tors. theta energy: -191.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1965.824357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.824357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.824357 (E_RNA) where: Base-Base interactions energy: -1317.276 where: short stacking energy: -564.715 Base-Backbone interact. energy: -6.184 local terms energy: -642.364011 where: bonds (distance) C4'-P energy: -130.512 bonds (distance) P-C4' energy: -118.382 flat angles C4'-P-C4' energy: -127.565 flat angles P-C4'-P energy: -86.797 tors. eta vs tors. theta energy: -179.109 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: 128 Temperature: 1.000000 Total energy: -1871.202675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.202675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.202675 (E_RNA) where: Base-Base interactions energy: -1270.604 where: short stacking energy: -524.515 Base-Backbone interact. energy: -0.441 local terms energy: -600.158222 where: bonds (distance) C4'-P energy: -127.428 bonds (distance) P-C4' energy: -113.012 flat angles C4'-P-C4' energy: -128.683 flat angles P-C4'-P energy: -80.573 tors. eta vs tors. theta energy: -150.462 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: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1790.625592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.625592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.625592 (E_RNA) where: Base-Base interactions energy: -1211.857 where: short stacking energy: -508.674 Base-Backbone interact. energy: -2.101 local terms energy: -576.667240 where: bonds (distance) C4'-P energy: -100.637 bonds (distance) P-C4' energy: -110.551 flat angles C4'-P-C4' energy: -126.681 flat angles P-C4'-P energy: -88.488 tors. eta vs tors. theta energy: -150.311 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: 1 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1568.747263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.747263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.747263 (E_RNA) where: Base-Base interactions energy: -1042.908 where: short stacking energy: -455.744 Base-Backbone interact. energy: -1.118 local terms energy: -524.721025 where: bonds (distance) C4'-P energy: -110.056 bonds (distance) P-C4' energy: -96.325 flat angles C4'-P-C4' energy: -105.069 flat angles P-C4'-P energy: -80.193 tors. eta vs tors. theta energy: -133.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1346.040825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.040825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.040825 (E_RNA) where: Base-Base interactions energy: -852.097 where: short stacking energy: -378.781 Base-Backbone interact. energy: -0.986 local terms energy: -492.958729 where: bonds (distance) C4'-P energy: -99.761 bonds (distance) P-C4' energy: -115.885 flat angles C4'-P-C4' energy: -111.612 flat angles P-C4'-P energy: -69.858 tors. eta vs tors. theta energy: -95.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1051.354504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.354504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.354504 (E_RNA) where: Base-Base interactions energy: -640.837 where: short stacking energy: -319.204 Base-Backbone interact. energy: 1.985 local terms energy: -412.502494 where: bonds (distance) C4'-P energy: -90.695 bonds (distance) P-C4' energy: -111.642 flat angles C4'-P-C4' energy: -89.799 flat angles P-C4'-P energy: -68.440 tors. eta vs tors. theta energy: -51.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -742.213603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.213603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.213603 (E_RNA) where: Base-Base interactions energy: -384.791 where: short stacking energy: -221.397 Base-Backbone interact. energy: 1.498 local terms energy: -358.920405 where: bonds (distance) C4'-P energy: -98.659 bonds (distance) P-C4' energy: -102.820 flat angles C4'-P-C4' energy: -100.914 flat angles P-C4'-P energy: -50.437 tors. eta vs tors. theta energy: -6.090 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: 8 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -617.789553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.789553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.789553 (E_RNA) where: Base-Base interactions energy: -269.196 where: short stacking energy: -170.576 Base-Backbone interact. energy: -0.595 local terms energy: -347.998242 where: bonds (distance) C4'-P energy: -101.488 bonds (distance) P-C4' energy: -104.344 flat angles C4'-P-C4' energy: -74.886 flat angles P-C4'-P energy: -56.430 tors. eta vs tors. theta energy: -10.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -541.521159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.521159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.521159 (E_RNA) where: Base-Base interactions energy: -229.130 where: short stacking energy: -142.620 Base-Backbone interact. energy: -1.018 local terms energy: -311.373217 where: bonds (distance) C4'-P energy: -103.470 bonds (distance) P-C4' energy: -96.499 flat angles C4'-P-C4' energy: -92.523 flat angles P-C4'-P energy: -45.238 tors. eta vs tors. theta energy: 26.357 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: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2062.337454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.337454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.337454 (E_RNA) where: Base-Base interactions energy: -1385.964 where: short stacking energy: -598.822 Base-Backbone interact. energy: -1.867 local terms energy: -674.506446 where: bonds (distance) C4'-P energy: -129.892 bonds (distance) P-C4' energy: -129.892 flat angles C4'-P-C4' energy: -145.258 flat angles P-C4'-P energy: -89.945 tors. eta vs tors. theta energy: -179.520 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: 10 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1952.961162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.961162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.961162 (E_RNA) where: Base-Base interactions energy: -1301.871 where: short stacking energy: -550.265 Base-Backbone interact. energy: -1.683 local terms energy: -649.407449 where: bonds (distance) C4'-P energy: -115.264 bonds (distance) P-C4' energy: -124.622 flat angles C4'-P-C4' energy: -131.825 flat angles P-C4'-P energy: -100.831 tors. eta vs tors. theta energy: -176.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1900.388443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.388443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.388443 (E_RNA) where: Base-Base interactions energy: -1305.051 where: short stacking energy: -548.661 Base-Backbone interact. energy: 0.631 local terms energy: -595.968241 where: bonds (distance) C4'-P energy: -122.647 bonds (distance) P-C4' energy: -107.016 flat angles C4'-P-C4' energy: -132.478 flat angles P-C4'-P energy: -82.610 tors. eta vs tors. theta energy: -151.217 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: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1853.336574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.336574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.336574 (E_RNA) where: Base-Base interactions energy: -1279.049 where: short stacking energy: -526.226 Base-Backbone interact. energy: -2.699 local terms energy: -571.588583 where: bonds (distance) C4'-P energy: -101.791 bonds (distance) P-C4' energy: -110.236 flat angles C4'-P-C4' energy: -132.960 flat angles P-C4'-P energy: -75.576 tors. eta vs tors. theta energy: -151.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1606.495189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.495189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.495189 (E_RNA) where: Base-Base interactions energy: -1036.354 where: short stacking energy: -467.064 Base-Backbone interact. energy: -3.898 local terms energy: -566.243061 where: bonds (distance) C4'-P energy: -102.191 bonds (distance) P-C4' energy: -118.614 flat angles C4'-P-C4' energy: -134.226 flat angles P-C4'-P energy: -86.450 tors. eta vs tors. theta energy: -124.761 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: 4 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1364.708205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.708205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.708205 (E_RNA) where: Base-Base interactions energy: -863.654 where: short stacking energy: -419.427 Base-Backbone interact. energy: 0.969 local terms energy: -502.023536 where: bonds (distance) C4'-P energy: -98.613 bonds (distance) P-C4' energy: -100.061 flat angles C4'-P-C4' energy: -123.445 flat angles P-C4'-P energy: -76.130 tors. eta vs tors. theta energy: -103.774 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: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1101.184331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.184331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.184331 (E_RNA) where: Base-Base interactions energy: -663.760 where: short stacking energy: -320.551 Base-Backbone interact. energy: 1.052 local terms energy: -438.477159 where: bonds (distance) C4'-P energy: -91.761 bonds (distance) P-C4' energy: -114.717 flat angles C4'-P-C4' energy: -99.351 flat angles P-C4'-P energy: -73.199 tors. eta vs tors. theta energy: -59.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -673.980046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.980046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.980046 (E_RNA) where: Base-Base interactions energy: -343.879 where: short stacking energy: -188.249 Base-Backbone interact. energy: 2.722 local terms energy: -332.822319 where: bonds (distance) C4'-P energy: -75.623 bonds (distance) P-C4' energy: -103.873 flat angles C4'-P-C4' energy: -82.179 flat angles P-C4'-P energy: -58.268 tors. eta vs tors. theta energy: -12.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -660.629423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.629423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.629423 (E_RNA) where: Base-Base interactions energy: -298.287 where: short stacking energy: -204.065 Base-Backbone interact. energy: 4.300 local terms energy: -366.642775 where: bonds (distance) C4'-P energy: -98.859 bonds (distance) P-C4' energy: -98.213 flat angles C4'-P-C4' energy: -79.012 flat angles P-C4'-P energy: -76.527 tors. eta vs tors. theta energy: -14.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -537.935566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.935566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.935566 (E_RNA) where: Base-Base interactions energy: -235.421 where: short stacking energy: -149.832 Base-Backbone interact. energy: 0.032 local terms energy: -302.546720 where: bonds (distance) C4'-P energy: -104.719 bonds (distance) P-C4' energy: -94.779 flat angles C4'-P-C4' energy: -76.002 flat angles P-C4'-P energy: -46.037 tors. eta vs tors. theta energy: 18.990 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: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2030.731221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.731221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.731221 (E_RNA) where: Base-Base interactions energy: -1384.560 where: short stacking energy: -593.545 Base-Backbone interact. energy: -0.684 local terms energy: -645.487429 where: bonds (distance) C4'-P energy: -115.747 bonds (distance) P-C4' energy: -128.491 flat angles C4'-P-C4' energy: -126.540 flat angles P-C4'-P energy: -94.618 tors. eta vs tors. theta energy: -180.091 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: 10 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1971.295138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.295138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.295138 (E_RNA) where: Base-Base interactions energy: -1319.640 where: short stacking energy: -577.532 Base-Backbone interact. energy: -1.314 local terms energy: -650.340984 where: bonds (distance) C4'-P energy: -124.988 bonds (distance) P-C4' energy: -125.552 flat angles C4'-P-C4' energy: -143.417 flat angles P-C4'-P energy: -85.174 tors. eta vs tors. theta energy: -171.211 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: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1885.318855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.318855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.318855 (E_RNA) where: Base-Base interactions energy: -1300.444 where: short stacking energy: -540.300 Base-Backbone interact. energy: -3.067 local terms energy: -581.808152 where: bonds (distance) C4'-P energy: -103.708 bonds (distance) P-C4' energy: -120.080 flat angles C4'-P-C4' energy: -118.092 flat angles P-C4'-P energy: -85.823 tors. eta vs tors. theta energy: -154.106 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: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1780.567857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.567857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.567857 (E_RNA) where: Base-Base interactions energy: -1196.374 where: short stacking energy: -486.356 Base-Backbone interact. energy: -0.257 local terms energy: -583.936823 where: bonds (distance) C4'-P energy: -114.078 bonds (distance) P-C4' energy: -118.935 flat angles C4'-P-C4' energy: -132.919 flat angles P-C4'-P energy: -81.882 tors. eta vs tors. theta energy: -136.123 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: 1 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1545.343308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.343308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.343308 (E_RNA) where: Base-Base interactions energy: -1013.855 where: short stacking energy: -455.888 Base-Backbone interact. energy: -2.382 local terms energy: -529.106414 where: bonds (distance) C4'-P energy: -98.229 bonds (distance) P-C4' energy: -111.268 flat angles C4'-P-C4' energy: -126.823 flat angles P-C4'-P energy: -71.231 tors. eta vs tors. theta energy: -121.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1384.345241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.345241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.345241 (E_RNA) where: Base-Base interactions energy: -887.531 where: short stacking energy: -414.304 Base-Backbone interact. energy: 0.714 local terms energy: -497.528731 where: bonds (distance) C4'-P energy: -93.916 bonds (distance) P-C4' energy: -118.144 flat angles C4'-P-C4' energy: -121.372 flat angles P-C4'-P energy: -71.328 tors. eta vs tors. theta energy: -92.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1195.936465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.936465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.936465 (E_RNA) where: Base-Base interactions energy: -732.667 where: short stacking energy: -340.405 Base-Backbone interact. energy: 0.388 local terms energy: -463.657395 where: bonds (distance) C4'-P energy: -103.444 bonds (distance) P-C4' energy: -102.536 flat angles C4'-P-C4' energy: -106.683 flat angles P-C4'-P energy: -69.616 tors. eta vs tors. theta energy: -81.378 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: 8 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -630.698526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.698526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.698526 (E_RNA) where: Base-Base interactions energy: -276.644 where: short stacking energy: -188.429 Base-Backbone interact. energy: -1.543 local terms energy: -352.511424 where: bonds (distance) C4'-P energy: -86.304 bonds (distance) P-C4' energy: -112.621 flat angles C4'-P-C4' energy: -85.799 flat angles P-C4'-P energy: -60.669 tors. eta vs tors. theta energy: -7.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -661.133563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.133563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.133563 (E_RNA) where: Base-Base interactions energy: -337.895 where: short stacking energy: -182.555 Base-Backbone interact. energy: 0.631 local terms energy: -323.868978 where: bonds (distance) C4'-P energy: -92.469 bonds (distance) P-C4' energy: -102.589 flat angles C4'-P-C4' energy: -79.218 flat angles P-C4'-P energy: -57.034 tors. eta vs tors. theta energy: 7.440 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: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -465.426133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.426133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.426133 (E_RNA) where: Base-Base interactions energy: -157.892 where: short stacking energy: -116.658 Base-Backbone interact. energy: 0.760 local terms energy: -308.294706 where: bonds (distance) C4'-P energy: -109.746 bonds (distance) P-C4' energy: -101.922 flat angles C4'-P-C4' energy: -72.384 flat angles P-C4'-P energy: -47.109 tors. eta vs tors. theta energy: 22.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2062.959544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.959544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.959544 (E_RNA) where: Base-Base interactions energy: -1377.396 where: short stacking energy: -591.065 Base-Backbone interact. energy: -3.203 local terms energy: -682.361377 where: bonds (distance) C4'-P energy: -135.756 bonds (distance) P-C4' energy: -131.656 flat angles C4'-P-C4' energy: -145.554 flat angles P-C4'-P energy: -89.970 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: 2, replica: 5 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1938.927961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.927961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.927961 (E_RNA) where: Base-Base interactions energy: -1325.904 where: short stacking energy: -506.489 Base-Backbone interact. energy: -1.962 local terms energy: -611.062053 where: bonds (distance) C4'-P energy: -111.069 bonds (distance) P-C4' energy: -110.760 flat angles C4'-P-C4' energy: -141.714 flat angles P-C4'-P energy: -97.396 tors. eta vs tors. theta energy: -150.124 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: 10 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1907.299275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.299275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.299275 (E_RNA) where: Base-Base interactions energy: -1302.794 where: short stacking energy: -538.460 Base-Backbone interact. energy: -2.587 local terms energy: -601.918212 where: bonds (distance) C4'-P energy: -106.234 bonds (distance) P-C4' energy: -121.444 flat angles C4'-P-C4' energy: -111.174 flat angles P-C4'-P energy: -94.603 tors. eta vs tors. theta energy: -168.462 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: 3 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1802.728606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.728606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.728606 (E_RNA) where: Base-Base interactions energy: -1218.581 where: short stacking energy: -520.394 Base-Backbone interact. energy: -1.409 local terms energy: -582.738904 where: bonds (distance) C4'-P energy: -97.606 bonds (distance) P-C4' energy: -105.435 flat angles C4'-P-C4' energy: -131.199 flat angles P-C4'-P energy: -89.018 tors. eta vs tors. theta energy: -159.481 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: 1 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1577.180311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.180311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.180311 (E_RNA) where: Base-Base interactions energy: -1039.377 where: short stacking energy: -453.019 Base-Backbone interact. energy: -2.562 local terms energy: -535.241569 where: bonds (distance) C4'-P energy: -94.501 bonds (distance) P-C4' energy: -123.175 flat angles C4'-P-C4' energy: -106.526 flat angles P-C4'-P energy: -75.477 tors. eta vs tors. theta energy: -135.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1418.031223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.031223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.031223 (E_RNA) where: Base-Base interactions energy: -911.514 where: short stacking energy: -406.388 Base-Backbone interact. energy: -0.560 local terms energy: -505.956793 where: bonds (distance) C4'-P energy: -92.897 bonds (distance) P-C4' energy: -131.379 flat angles C4'-P-C4' energy: -101.972 flat angles P-C4'-P energy: -71.204 tors. eta vs tors. theta energy: -108.504 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: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1195.515920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.515920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.515920 (E_RNA) where: Base-Base interactions energy: -757.368 where: short stacking energy: -325.274 Base-Backbone interact. energy: -0.093 local terms energy: -438.054860 where: bonds (distance) C4'-P energy: -104.776 bonds (distance) P-C4' energy: -111.484 flat angles C4'-P-C4' energy: -92.121 flat angles P-C4'-P energy: -63.011 tors. eta vs tors. theta energy: -66.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -617.136102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.136102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.136102 (E_RNA) where: Base-Base interactions energy: -282.894 where: short stacking energy: -180.810 Base-Backbone interact. energy: -1.657 local terms energy: -332.585911 where: bonds (distance) C4'-P energy: -84.097 bonds (distance) P-C4' energy: -106.946 flat angles C4'-P-C4' energy: -77.648 flat angles P-C4'-P energy: -63.159 tors. eta vs tors. theta energy: -0.736 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: 6 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -636.001121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.001121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.001121 (E_RNA) where: Base-Base interactions energy: -293.352 where: short stacking energy: -179.663 Base-Backbone interact. energy: -3.916 local terms energy: -338.733186 where: bonds (distance) C4'-P energy: -93.835 bonds (distance) P-C4' energy: -106.907 flat angles C4'-P-C4' energy: -80.372 flat angles P-C4'-P energy: -45.709 tors. eta vs tors. theta energy: -11.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -442.611428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.611428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.611428 (E_RNA) where: Base-Base interactions energy: -121.241 where: short stacking energy: -91.766 Base-Backbone interact. energy: 3.871 local terms energy: -325.241341 where: bonds (distance) C4'-P energy: -103.120 bonds (distance) P-C4' energy: -106.912 flat angles C4'-P-C4' energy: -87.685 flat angles P-C4'-P energy: -66.751 tors. eta vs tors. theta energy: 39.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2050.069155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.069155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.069155 (E_RNA) where: Base-Base interactions energy: -1380.906 where: short stacking energy: -580.641 Base-Backbone interact. energy: -1.589 local terms energy: -667.573553 where: bonds (distance) C4'-P energy: -124.143 bonds (distance) P-C4' energy: -134.261 flat angles C4'-P-C4' energy: -134.950 flat angles P-C4'-P energy: -100.496 tors. eta vs tors. theta energy: -173.723 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: 132 Temperature: 0.950000 Total energy: -1942.779989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.779989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.779989 (E_RNA) where: Base-Base interactions energy: -1323.607 where: short stacking energy: -551.446 Base-Backbone interact. energy: -0.487 local terms energy: -618.685776 where: bonds (distance) C4'-P energy: -122.845 bonds (distance) P-C4' energy: -128.910 flat angles C4'-P-C4' energy: -134.821 flat angles P-C4'-P energy: -75.912 tors. eta vs tors. theta energy: -156.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1850.937480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.937480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.937480 (E_RNA) where: Base-Base interactions energy: -1242.003 where: short stacking energy: -529.836 Base-Backbone interact. energy: 0.248 local terms energy: -609.183254 where: bonds (distance) C4'-P energy: -107.770 bonds (distance) P-C4' energy: -111.990 flat angles C4'-P-C4' energy: -137.211 flat angles P-C4'-P energy: -82.183 tors. eta vs tors. theta energy: -170.029 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: 3 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1810.015804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.015804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.015804 (E_RNA) where: Base-Base interactions energy: -1263.645 where: short stacking energy: -498.063 Base-Backbone interact. energy: 1.710 local terms energy: -548.080202 where: bonds (distance) C4'-P energy: -103.512 bonds (distance) P-C4' energy: -106.494 flat angles C4'-P-C4' energy: -107.000 flat angles P-C4'-P energy: -75.658 tors. eta vs tors. theta energy: -155.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1606.715345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.715345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.715345 (E_RNA) where: Base-Base interactions energy: -1047.956 where: short stacking energy: -452.834 Base-Backbone interact. energy: 5.881 local terms energy: -564.640447 where: bonds (distance) C4'-P energy: -107.597 bonds (distance) P-C4' energy: -133.721 flat angles C4'-P-C4' energy: -116.204 flat angles P-C4'-P energy: -73.700 tors. eta vs tors. theta energy: -133.418 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: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1389.326820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.326820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.326820 (E_RNA) where: Base-Base interactions energy: -859.318 where: short stacking energy: -389.277 Base-Backbone interact. energy: 2.026 local terms energy: -532.033940 where: bonds (distance) C4'-P energy: -111.370 bonds (distance) P-C4' energy: -121.288 flat angles C4'-P-C4' energy: -120.879 flat angles P-C4'-P energy: -78.394 tors. eta vs tors. theta energy: -100.102 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: 132 Temperature: 1.200000 Total energy: -1173.047842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.047842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.047842 (E_RNA) where: Base-Base interactions energy: -709.696 where: short stacking energy: -327.623 Base-Backbone interact. energy: 2.982 local terms energy: -466.333788 where: bonds (distance) C4'-P energy: -97.996 bonds (distance) P-C4' energy: -120.039 flat angles C4'-P-C4' energy: -112.132 flat angles P-C4'-P energy: -69.924 tors. eta vs tors. theta energy: -66.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -676.211811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.211811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.211811 (E_RNA) where: Base-Base interactions energy: -333.509 where: short stacking energy: -226.188 Base-Backbone interact. energy: 5.418 local terms energy: -348.121019 where: bonds (distance) C4'-P energy: -101.389 bonds (distance) P-C4' energy: -78.492 flat angles C4'-P-C4' energy: -82.288 flat angles P-C4'-P energy: -56.147 tors. eta vs tors. theta energy: -29.804 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: 6 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -631.649360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.649360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.649360 (E_RNA) where: Base-Base interactions energy: -258.098 where: short stacking energy: -171.023 Base-Backbone interact. energy: 1.863 local terms energy: -375.414400 where: bonds (distance) C4'-P energy: -100.360 bonds (distance) P-C4' energy: -100.817 flat angles C4'-P-C4' energy: -101.023 flat angles P-C4'-P energy: -58.339 tors. eta vs tors. theta energy: -14.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -477.319564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.319564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.319564 (E_RNA) where: Base-Base interactions energy: -175.201 where: short stacking energy: -116.183 Base-Backbone interact. energy: 3.575 local terms energy: -305.693106 where: bonds (distance) C4'-P energy: -96.865 bonds (distance) P-C4' energy: -114.317 flat angles C4'-P-C4' energy: -83.767 flat angles P-C4'-P energy: -48.182 tors. eta vs tors. theta energy: 37.438 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: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2041.143466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.143466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.143466 (E_RNA) where: Base-Base interactions energy: -1362.329 where: short stacking energy: -586.806 Base-Backbone interact. energy: -2.430 local terms energy: -676.385117 where: bonds (distance) C4'-P energy: -121.841 bonds (distance) P-C4' energy: -127.363 flat angles C4'-P-C4' energy: -142.068 flat angles P-C4'-P energy: -103.636 tors. eta vs tors. theta energy: -181.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1938.463422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.463422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.463422 (E_RNA) where: Base-Base interactions energy: -1309.557 where: short stacking energy: -543.249 Base-Backbone interact. energy: 0.892 local terms energy: -629.798475 where: bonds (distance) C4'-P energy: -111.380 bonds (distance) P-C4' energy: -124.413 flat angles C4'-P-C4' energy: -137.910 flat angles P-C4'-P energy: -91.707 tors. eta vs tors. theta energy: -164.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1893.366248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.366248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.366248 (E_RNA) where: Base-Base interactions energy: -1273.767 where: short stacking energy: -528.643 Base-Backbone interact. energy: 0.068 local terms energy: -619.667257 where: bonds (distance) C4'-P energy: -111.497 bonds (distance) P-C4' energy: -115.384 flat angles C4'-P-C4' energy: -130.578 flat angles P-C4'-P energy: -88.146 tors. eta vs tors. theta energy: -174.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1828.143585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.143585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.143585 (E_RNA) where: Base-Base interactions energy: -1210.524 where: short stacking energy: -498.866 Base-Backbone interact. energy: -1.601 local terms energy: -616.018907 where: bonds (distance) C4'-P energy: -122.084 bonds (distance) P-C4' energy: -110.809 flat angles C4'-P-C4' energy: -125.036 flat angles P-C4'-P energy: -99.332 tors. eta vs tors. theta energy: -158.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1612.367736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.367736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.367736 (E_RNA) where: Base-Base interactions energy: -1064.456 where: short stacking energy: -435.699 Base-Backbone interact. energy: -0.430 local terms energy: -547.482322 where: bonds (distance) C4'-P energy: -120.558 bonds (distance) P-C4' energy: -114.956 flat angles C4'-P-C4' energy: -117.846 flat angles P-C4'-P energy: -71.307 tors. eta vs tors. theta energy: -122.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1343.107827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.107827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.107827 (E_RNA) where: Base-Base interactions energy: -846.283 where: short stacking energy: -376.663 Base-Backbone interact. energy: 1.580 local terms energy: -498.404737 where: bonds (distance) C4'-P energy: -111.654 bonds (distance) P-C4' energy: -111.400 flat angles C4'-P-C4' energy: -107.455 flat angles P-C4'-P energy: -72.118 tors. eta vs tors. theta energy: -95.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1250.883753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.883753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.883753 (E_RNA) where: Base-Base interactions energy: -802.778 where: short stacking energy: -350.495 Base-Backbone interact. energy: -2.670 local terms energy: -445.435675 where: bonds (distance) C4'-P energy: -91.572 bonds (distance) P-C4' energy: -109.535 flat angles C4'-P-C4' energy: -109.174 flat angles P-C4'-P energy: -59.441 tors. eta vs tors. theta energy: -75.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -704.811730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.811730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.811730 (E_RNA) where: Base-Base interactions energy: -351.770 where: short stacking energy: -224.369 Base-Backbone interact. energy: 1.323 local terms energy: -354.363908 where: bonds (distance) C4'-P energy: -95.381 bonds (distance) P-C4' energy: -101.924 flat angles C4'-P-C4' energy: -93.752 flat angles P-C4'-P energy: -44.706 tors. eta vs tors. theta energy: -18.601 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: 6 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -615.155888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.155888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.155888 (E_RNA) where: Base-Base interactions energy: -274.878 where: short stacking energy: -165.701 Base-Backbone interact. energy: 2.699 local terms energy: -342.977344 where: bonds (distance) C4'-P energy: -103.112 bonds (distance) P-C4' energy: -106.067 flat angles C4'-P-C4' energy: -77.050 flat angles P-C4'-P energy: -56.919 tors. eta vs tors. theta energy: 0.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -463.785592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.785592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.785592 (E_RNA) where: Base-Base interactions energy: -147.014 where: short stacking energy: -127.482 Base-Backbone interact. energy: 0.999 local terms energy: -317.770410 where: bonds (distance) C4'-P energy: -107.880 bonds (distance) P-C4' energy: -96.577 flat angles C4'-P-C4' energy: -92.025 flat angles P-C4'-P energy: -36.787 tors. eta vs tors. theta energy: 15.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1989.102300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.102300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.102300 (E_RNA) where: Base-Base interactions energy: -1354.312 where: short stacking energy: -580.316 Base-Backbone interact. energy: 0.174 local terms energy: -634.964429 where: bonds (distance) C4'-P energy: -113.946 bonds (distance) P-C4' energy: -123.017 flat angles C4'-P-C4' energy: -142.732 flat angles P-C4'-P energy: -87.803 tors. eta vs tors. theta energy: -167.467 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: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1970.117471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.117471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.117471 (E_RNA) where: Base-Base interactions energy: -1332.668 where: short stacking energy: -546.319 Base-Backbone interact. energy: -2.709 local terms energy: -634.740618 where: bonds (distance) C4'-P energy: -115.948 bonds (distance) P-C4' energy: -118.757 flat angles C4'-P-C4' energy: -135.838 flat angles P-C4'-P energy: -89.987 tors. eta vs tors. theta energy: -174.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1873.681210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.681210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.681210 (E_RNA) where: Base-Base interactions energy: -1269.528 where: short stacking energy: -534.897 Base-Backbone interact. energy: -1.496 local terms energy: -602.657705 where: bonds (distance) C4'-P energy: -113.693 bonds (distance) P-C4' energy: -108.236 flat angles C4'-P-C4' energy: -130.026 flat angles P-C4'-P energy: -78.837 tors. eta vs tors. theta energy: -171.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1819.841861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.841861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.841861 (E_RNA) where: Base-Base interactions energy: -1228.136 where: short stacking energy: -521.440 Base-Backbone interact. energy: -3.075 local terms energy: -588.630992 where: bonds (distance) C4'-P energy: -111.617 bonds (distance) P-C4' energy: -106.470 flat angles C4'-P-C4' energy: -126.414 flat angles P-C4'-P energy: -84.825 tors. eta vs tors. theta energy: -159.304 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: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1603.909960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.909960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.909960 (E_RNA) where: Base-Base interactions energy: -1068.585 where: short stacking energy: -451.807 Base-Backbone interact. energy: 1.269 local terms energy: -536.594187 where: bonds (distance) C4'-P energy: -111.038 bonds (distance) P-C4' energy: -118.678 flat angles C4'-P-C4' energy: -115.542 flat angles P-C4'-P energy: -69.264 tors. eta vs tors. theta energy: -122.073 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: 4 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1286.796452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.796452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.796452 (E_RNA) where: Base-Base interactions energy: -802.732 where: short stacking energy: -364.000 Base-Backbone interact. energy: -0.532 local terms energy: -483.531911 where: bonds (distance) C4'-P energy: -100.001 bonds (distance) P-C4' energy: -100.808 flat angles C4'-P-C4' energy: -117.641 flat angles P-C4'-P energy: -66.808 tors. eta vs tors. theta energy: -98.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1279.076558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.076558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.076558 (E_RNA) where: Base-Base interactions energy: -810.526 where: short stacking energy: -370.794 Base-Backbone interact. energy: -2.379 local terms energy: -466.171997 where: bonds (distance) C4'-P energy: -99.186 bonds (distance) P-C4' energy: -93.647 flat angles C4'-P-C4' energy: -108.475 flat angles P-C4'-P energy: -82.886 tors. eta vs tors. theta energy: -81.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -667.201262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.201262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.201262 (E_RNA) where: Base-Base interactions energy: -318.200 where: short stacking energy: -172.346 Base-Backbone interact. energy: -1.940 local terms energy: -347.060879 where: bonds (distance) C4'-P energy: -100.896 bonds (distance) P-C4' energy: -99.143 flat angles C4'-P-C4' energy: -99.365 flat angles P-C4'-P energy: -47.444 tors. eta vs tors. theta energy: -0.213 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: 9, replica: 6 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -640.399121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.399121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.399121 (E_RNA) where: Base-Base interactions energy: -298.112 where: short stacking energy: -176.517 Base-Backbone interact. energy: -3.724 local terms energy: -338.563779 where: bonds (distance) C4'-P energy: -81.962 bonds (distance) P-C4' energy: -97.489 flat angles C4'-P-C4' energy: -95.038 flat angles P-C4'-P energy: -61.800 tors. eta vs tors. theta energy: -2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -486.246487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.246487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.246487 (E_RNA) where: Base-Base interactions energy: -177.555 where: short stacking energy: -131.353 Base-Backbone interact. energy: 0.126 local terms energy: -308.817397 where: bonds (distance) C4'-P energy: -82.316 bonds (distance) P-C4' energy: -117.017 flat angles C4'-P-C4' energy: -82.131 flat angles P-C4'-P energy: -51.013 tors. eta vs tors. theta energy: 23.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2015.973607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.973607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.973607 (E_RNA) where: Base-Base interactions energy: -1355.456 where: short stacking energy: -602.722 Base-Backbone interact. energy: -2.121 local terms energy: -658.396865 where: bonds (distance) C4'-P energy: -121.981 bonds (distance) P-C4' energy: -126.008 flat angles C4'-P-C4' energy: -132.819 flat angles P-C4'-P energy: -91.448 tors. eta vs tors. theta energy: -186.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2011.324969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.324969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.324969 (E_RNA) where: Base-Base interactions energy: -1337.808 where: short stacking energy: -600.254 Base-Backbone interact. energy: -1.220 local terms energy: -672.296659 where: bonds (distance) C4'-P energy: -117.330 bonds (distance) P-C4' energy: -121.229 flat angles C4'-P-C4' energy: -150.722 flat angles P-C4'-P energy: -107.766 tors. eta vs tors. theta energy: -175.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1892.724794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.724794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.724794 (E_RNA) where: Base-Base interactions energy: -1280.933 where: short stacking energy: -542.250 Base-Backbone interact. energy: -3.725 local terms energy: -608.067228 where: bonds (distance) C4'-P energy: -122.877 bonds (distance) P-C4' energy: -120.123 flat angles C4'-P-C4' energy: -122.263 flat angles P-C4'-P energy: -80.859 tors. eta vs tors. theta energy: -161.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1801.487022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.487022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.487022 (E_RNA) where: Base-Base interactions energy: -1214.581 where: short stacking energy: -493.997 Base-Backbone interact. energy: -2.376 local terms energy: -584.529274 where: bonds (distance) C4'-P energy: -121.066 bonds (distance) P-C4' energy: -98.193 flat angles C4'-P-C4' energy: -141.528 flat angles P-C4'-P energy: -71.333 tors. eta vs tors. theta energy: -152.410 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: 1 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1672.611820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.611820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.611820 (E_RNA) where: Base-Base interactions energy: -1119.976 where: short stacking energy: -489.273 Base-Backbone interact. energy: 2.131 local terms energy: -554.766604 where: bonds (distance) C4'-P energy: -100.423 bonds (distance) P-C4' energy: -116.480 flat angles C4'-P-C4' energy: -130.356 flat angles P-C4'-P energy: -73.033 tors. eta vs tors. theta energy: -134.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1301.721959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.721959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.721959 (E_RNA) where: Base-Base interactions energy: -807.097 where: short stacking energy: -377.569 Base-Backbone interact. energy: -1.231 local terms energy: -493.393519 where: bonds (distance) C4'-P energy: -108.993 bonds (distance) P-C4' energy: -103.718 flat angles C4'-P-C4' energy: -114.913 flat angles P-C4'-P energy: -78.872 tors. eta vs tors. theta energy: -86.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1280.363000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.363000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.363000 (E_RNA) where: Base-Base interactions energy: -787.783 where: short stacking energy: -357.053 Base-Backbone interact. energy: -2.798 local terms energy: -489.781645 where: bonds (distance) C4'-P energy: -107.662 bonds (distance) P-C4' energy: -113.013 flat angles C4'-P-C4' energy: -102.797 flat angles P-C4'-P energy: -69.486 tors. eta vs tors. theta energy: -96.823 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: 8, replica: 8 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -683.069554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.069554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.069554 (E_RNA) where: Base-Base interactions energy: -294.801 where: short stacking energy: -183.556 Base-Backbone interact. energy: 3.686 local terms energy: -391.954380 where: bonds (distance) C4'-P energy: -108.037 bonds (distance) P-C4' energy: -128.398 flat angles C4'-P-C4' energy: -93.023 flat angles P-C4'-P energy: -57.651 tors. eta vs tors. theta energy: -4.846 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: 9, replica: 6 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -602.502902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.502902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.502902 (E_RNA) where: Base-Base interactions energy: -275.200 where: short stacking energy: -182.033 Base-Backbone interact. energy: -3.203 local terms energy: -324.100132 where: bonds (distance) C4'-P energy: -83.038 bonds (distance) P-C4' energy: -100.832 flat angles C4'-P-C4' energy: -89.291 flat angles P-C4'-P energy: -53.722 tors. eta vs tors. theta energy: 2.783 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: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -457.705938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.705938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.705938 (E_RNA) where: Base-Base interactions energy: -169.597 where: short stacking energy: -151.796 Base-Backbone interact. energy: -2.646 local terms energy: -285.462557 where: bonds (distance) C4'-P energy: -86.400 bonds (distance) P-C4' energy: -113.279 flat angles C4'-P-C4' energy: -78.666 flat angles P-C4'-P energy: -26.953 tors. eta vs tors. theta energy: 19.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2037.907920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.907920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.907920 (E_RNA) where: Base-Base interactions energy: -1360.292 where: short stacking energy: -575.759 Base-Backbone interact. energy: -2.966 local terms energy: -674.650341 where: bonds (distance) C4'-P energy: -113.975 bonds (distance) P-C4' energy: -131.124 flat angles C4'-P-C4' energy: -145.248 flat angles P-C4'-P energy: -100.664 tors. eta vs tors. theta energy: -183.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1983.882968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.882968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.882968 (E_RNA) where: Base-Base interactions energy: -1339.697 where: short stacking energy: -574.108 Base-Backbone interact. energy: 0.209 local terms energy: -644.394510 where: bonds (distance) C4'-P energy: -117.665 bonds (distance) P-C4' energy: -115.700 flat angles C4'-P-C4' energy: -133.249 flat angles P-C4'-P energy: -97.935 tors. eta vs tors. theta energy: -179.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1915.823124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.823124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.823124 (E_RNA) where: Base-Base interactions energy: -1302.041 where: short stacking energy: -530.072 Base-Backbone interact. energy: -1.925 local terms energy: -611.857543 where: bonds (distance) C4'-P energy: -119.172 bonds (distance) P-C4' energy: -115.167 flat angles C4'-P-C4' energy: -124.499 flat angles P-C4'-P energy: -89.500 tors. eta vs tors. theta energy: -163.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1813.394934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.394934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.394934 (E_RNA) where: Base-Base interactions energy: -1249.795 where: short stacking energy: -509.208 Base-Backbone interact. energy: 0.406 local terms energy: -564.005707 where: bonds (distance) C4'-P energy: -110.952 bonds (distance) P-C4' energy: -102.070 flat angles C4'-P-C4' energy: -118.785 flat angles P-C4'-P energy: -80.626 tors. eta vs tors. theta energy: -151.572 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: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1627.555929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.555929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.555929 (E_RNA) where: Base-Base interactions energy: -1063.327 where: short stacking energy: -457.671 Base-Backbone interact. energy: 0.238 local terms energy: -564.467119 where: bonds (distance) C4'-P energy: -115.992 bonds (distance) P-C4' energy: -121.974 flat angles C4'-P-C4' energy: -106.184 flat angles P-C4'-P energy: -96.613 tors. eta vs tors. theta energy: -123.703 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: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1290.652087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.652087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.652087 (E_RNA) where: Base-Base interactions energy: -809.711 where: short stacking energy: -352.881 Base-Backbone interact. energy: 0.665 local terms energy: -481.606882 where: bonds (distance) C4'-P energy: -112.723 bonds (distance) P-C4' energy: -107.471 flat angles C4'-P-C4' energy: -116.896 flat angles P-C4'-P energy: -70.956 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: 7, replica: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1221.503142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.503142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.503142 (E_RNA) where: Base-Base interactions energy: -764.323 where: short stacking energy: -338.131 Base-Backbone interact. energy: 4.120 local terms energy: -461.299741 where: bonds (distance) C4'-P energy: -110.801 bonds (distance) P-C4' energy: -100.078 flat angles C4'-P-C4' energy: -110.012 flat angles P-C4'-P energy: -63.450 tors. eta vs tors. theta energy: -76.958 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: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -647.544629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.544629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.544629 (E_RNA) where: Base-Base interactions energy: -292.280 where: short stacking energy: -183.092 Base-Backbone interact. energy: -1.585 local terms energy: -353.679333 where: bonds (distance) C4'-P energy: -100.273 bonds (distance) P-C4' energy: -106.351 flat angles C4'-P-C4' energy: -85.453 flat angles P-C4'-P energy: -46.464 tors. eta vs tors. theta energy: -15.138 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: 6 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -587.388643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.388643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.388643 (E_RNA) where: Base-Base interactions energy: -239.011 where: short stacking energy: -144.152 Base-Backbone interact. energy: -1.531 local terms energy: -346.846099 where: bonds (distance) C4'-P energy: -91.359 bonds (distance) P-C4' energy: -107.233 flat angles C4'-P-C4' energy: -98.412 flat angles P-C4'-P energy: -67.834 tors. eta vs tors. theta energy: 17.991 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: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -475.682161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.682161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.682161 (E_RNA) where: Base-Base interactions energy: -138.048 where: short stacking energy: -114.153 Base-Backbone interact. energy: -0.746 local terms energy: -336.887610 where: bonds (distance) C4'-P energy: -106.514 bonds (distance) P-C4' energy: -103.992 flat angles C4'-P-C4' energy: -81.290 flat angles P-C4'-P energy: -61.462 tors. eta vs tors. theta energy: 16.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2035.836436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.836436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.836436 (E_RNA) where: Base-Base interactions energy: -1359.915 where: short stacking energy: -588.304 Base-Backbone interact. energy: -3.241 local terms energy: -672.680746 where: bonds (distance) C4'-P energy: -114.058 bonds (distance) P-C4' energy: -136.961 flat angles C4'-P-C4' energy: -141.118 flat angles P-C4'-P energy: -94.264 tors. eta vs tors. theta energy: -186.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1981.129833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.129833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.129833 (E_RNA) where: Base-Base interactions energy: -1339.044 where: short stacking energy: -563.536 Base-Backbone interact. energy: -5.106 local terms energy: -636.978996 where: bonds (distance) C4'-P energy: -115.541 bonds (distance) P-C4' energy: -128.515 flat angles C4'-P-C4' energy: -128.837 flat angles P-C4'-P energy: -82.312 tors. eta vs tors. theta energy: -181.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1882.611545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.611545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.611545 (E_RNA) where: Base-Base interactions energy: -1269.971 where: short stacking energy: -511.117 Base-Backbone interact. energy: -3.546 local terms energy: -609.093751 where: bonds (distance) C4'-P energy: -109.841 bonds (distance) P-C4' energy: -127.406 flat angles C4'-P-C4' energy: -140.872 flat angles P-C4'-P energy: -79.327 tors. eta vs tors. theta energy: -151.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1838.934648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.934648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.934648 (E_RNA) where: Base-Base interactions energy: -1243.471 where: short stacking energy: -521.721 Base-Backbone interact. energy: 0.743 local terms energy: -596.205669 where: bonds (distance) C4'-P energy: -100.978 bonds (distance) P-C4' energy: -120.446 flat angles C4'-P-C4' energy: -129.965 flat angles P-C4'-P energy: -85.800 tors. eta vs tors. theta energy: -159.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1604.446666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.446666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.446666 (E_RNA) where: Base-Base interactions energy: -1051.861 where: short stacking energy: -459.179 Base-Backbone interact. energy: 1.391 local terms energy: -553.977498 where: bonds (distance) C4'-P energy: -108.536 bonds (distance) P-C4' energy: -109.583 flat angles C4'-P-C4' energy: -127.200 flat angles P-C4'-P energy: -84.643 tors. eta vs tors. theta energy: -124.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1406.853685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.853685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.853685 (E_RNA) where: Base-Base interactions energy: -883.702 where: short stacking energy: -408.750 Base-Backbone interact. energy: -4.909 local terms energy: -518.242469 where: bonds (distance) C4'-P energy: -110.169 bonds (distance) P-C4' energy: -105.761 flat angles C4'-P-C4' energy: -123.861 flat angles P-C4'-P energy: -68.521 tors. eta vs tors. theta energy: -109.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1216.048333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.048333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.048333 (E_RNA) where: Base-Base interactions energy: -765.248 where: short stacking energy: -351.656 Base-Backbone interact. energy: -4.075 local terms energy: -446.724892 where: bonds (distance) C4'-P energy: -85.817 bonds (distance) P-C4' energy: -106.836 flat angles C4'-P-C4' energy: -114.447 flat angles P-C4'-P energy: -71.026 tors. eta vs tors. theta energy: -68.598 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: 8, replica: 6 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -647.505415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.505415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.505415 (E_RNA) where: Base-Base interactions energy: -304.098 where: short stacking energy: -177.041 Base-Backbone interact. energy: -0.657 local terms energy: -342.750062 where: bonds (distance) C4'-P energy: -87.986 bonds (distance) P-C4' energy: -113.574 flat angles C4'-P-C4' energy: -88.513 flat angles P-C4'-P energy: -38.162 tors. eta vs tors. theta energy: -14.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -572.402095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.402095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.402095 (E_RNA) where: Base-Base interactions energy: -225.298 where: short stacking energy: -157.070 Base-Backbone interact. energy: 4.454 local terms energy: -351.557709 where: bonds (distance) C4'-P energy: -99.880 bonds (distance) P-C4' energy: -125.461 flat angles C4'-P-C4' energy: -79.679 flat angles P-C4'-P energy: -43.194 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -469.016221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.016221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.016221 (E_RNA) where: Base-Base interactions energy: -151.481 where: short stacking energy: -120.077 Base-Backbone interact. energy: 0.972 local terms energy: -318.506773 where: bonds (distance) C4'-P energy: -83.656 bonds (distance) P-C4' energy: -117.549 flat angles C4'-P-C4' energy: -77.220 flat angles P-C4'-P energy: -52.914 tors. eta vs tors. theta energy: 12.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2026.533770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.533770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.533770 (E_RNA) where: Base-Base interactions energy: -1378.005 where: short stacking energy: -598.616 Base-Backbone interact. energy: -2.410 local terms energy: -646.118458 where: bonds (distance) C4'-P energy: -118.848 bonds (distance) P-C4' energy: -118.725 flat angles C4'-P-C4' energy: -138.469 flat angles P-C4'-P energy: -92.940 tors. eta vs tors. theta energy: -177.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1993.939300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.939300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.939300 (E_RNA) where: Base-Base interactions energy: -1351.010 where: short stacking energy: -566.850 Base-Backbone interact. energy: -0.346 local terms energy: -642.583422 where: bonds (distance) C4'-P energy: -113.568 bonds (distance) P-C4' energy: -114.401 flat angles C4'-P-C4' energy: -141.559 flat angles P-C4'-P energy: -95.189 tors. eta vs tors. theta energy: -177.867 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: 10 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1913.366888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.366888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.366888 (E_RNA) where: Base-Base interactions energy: -1314.980 where: short stacking energy: -559.972 Base-Backbone interact. energy: -1.627 local terms energy: -596.759394 where: bonds (distance) C4'-P energy: -109.743 bonds (distance) P-C4' energy: -115.249 flat angles C4'-P-C4' energy: -125.855 flat angles P-C4'-P energy: -86.112 tors. eta vs tors. theta energy: -159.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1809.021602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.021602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.021602 (E_RNA) where: Base-Base interactions energy: -1218.252 where: short stacking energy: -504.244 Base-Backbone interact. energy: -1.712 local terms energy: -589.056846 where: bonds (distance) C4'-P energy: -117.710 bonds (distance) P-C4' energy: -116.320 flat angles C4'-P-C4' energy: -124.479 flat angles P-C4'-P energy: -70.950 tors. eta vs tors. theta energy: -159.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1613.438187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.438187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.438187 (E_RNA) where: Base-Base interactions energy: -1061.027 where: short stacking energy: -479.079 Base-Backbone interact. energy: -0.640 local terms energy: -551.771397 where: bonds (distance) C4'-P energy: -106.213 bonds (distance) P-C4' energy: -107.853 flat angles C4'-P-C4' energy: -113.433 flat angles P-C4'-P energy: -86.619 tors. eta vs tors. theta energy: -137.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1396.175990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.175990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.175990 (E_RNA) where: Base-Base interactions energy: -922.996 where: short stacking energy: -407.271 Base-Backbone interact. energy: -0.415 local terms energy: -472.764509 where: bonds (distance) C4'-P energy: -98.386 bonds (distance) P-C4' energy: -102.264 flat angles C4'-P-C4' energy: -98.562 flat angles P-C4'-P energy: -68.488 tors. eta vs tors. theta energy: -105.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1178.822866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.822866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.822866 (E_RNA) where: Base-Base interactions energy: -717.214 where: short stacking energy: -321.938 Base-Backbone interact. energy: -0.050 local terms energy: -461.558982 where: bonds (distance) C4'-P energy: -102.535 bonds (distance) P-C4' energy: -101.476 flat angles C4'-P-C4' energy: -114.336 flat angles P-C4'-P energy: -79.178 tors. eta vs tors. theta energy: -64.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -616.934811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.934811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.934811 (E_RNA) where: Base-Base interactions energy: -248.214 where: short stacking energy: -158.105 Base-Backbone interact. energy: -1.636 local terms energy: -367.084214 where: bonds (distance) C4'-P energy: -97.407 bonds (distance) P-C4' energy: -105.988 flat angles C4'-P-C4' energy: -96.965 flat angles P-C4'-P energy: -59.975 tors. eta vs tors. theta energy: -6.748 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: 9, replica: 8 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -567.673418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.673418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.673418 (E_RNA) where: Base-Base interactions energy: -239.985 where: short stacking energy: -153.755 Base-Backbone interact. energy: 5.110 local terms energy: -332.798511 where: bonds (distance) C4'-P energy: -102.552 bonds (distance) P-C4' energy: -113.107 flat angles C4'-P-C4' energy: -105.657 flat angles P-C4'-P energy: -44.408 tors. eta vs tors. theta energy: 32.926 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: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -465.475537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.475537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.475537 (E_RNA) where: Base-Base interactions energy: -135.605 where: short stacking energy: -115.446 Base-Backbone interact. energy: -1.368 local terms energy: -328.502566 where: bonds (distance) C4'-P energy: -101.189 bonds (distance) P-C4' energy: -113.038 flat angles C4'-P-C4' energy: -109.210 flat angles P-C4'-P energy: -33.369 tors. eta vs tors. theta energy: 28.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2009.453545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.453545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.453545 (E_RNA) where: Base-Base interactions energy: -1364.507 where: short stacking energy: -585.348 Base-Backbone interact. energy: -2.192 local terms energy: -642.753876 where: bonds (distance) C4'-P energy: -106.876 bonds (distance) P-C4' energy: -131.754 flat angles C4'-P-C4' energy: -144.602 flat angles P-C4'-P energy: -85.001 tors. eta vs tors. theta energy: -174.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1974.932949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.932949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.932949 (E_RNA) where: Base-Base interactions energy: -1347.686 where: short stacking energy: -597.388 Base-Backbone interact. energy: 1.244 local terms energy: -628.490762 where: bonds (distance) C4'-P energy: -118.075 bonds (distance) P-C4' energy: -118.482 flat angles C4'-P-C4' energy: -131.048 flat angles P-C4'-P energy: -86.801 tors. eta vs tors. theta energy: -174.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1924.537755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.537755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.537755 (E_RNA) where: Base-Base interactions energy: -1313.742 where: short stacking energy: -585.712 Base-Backbone interact. energy: -3.110 local terms energy: -607.685517 where: bonds (distance) C4'-P energy: -114.025 bonds (distance) P-C4' energy: -98.860 flat angles C4'-P-C4' energy: -138.792 flat angles P-C4'-P energy: -83.028 tors. eta vs tors. theta energy: -172.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1808.582478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.582478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.582478 (E_RNA) where: Base-Base interactions energy: -1237.189 where: short stacking energy: -511.052 Base-Backbone interact. energy: -1.472 local terms energy: -569.921153 where: bonds (distance) C4'-P energy: -108.620 bonds (distance) P-C4' energy: -109.659 flat angles C4'-P-C4' energy: -123.435 flat angles P-C4'-P energy: -75.625 tors. eta vs tors. theta energy: -152.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1586.375336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.375336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.375336 (E_RNA) where: Base-Base interactions energy: -1033.821 where: short stacking energy: -437.464 Base-Backbone interact. energy: 2.143 local terms energy: -554.697015 where: bonds (distance) C4'-P energy: -119.645 bonds (distance) P-C4' energy: -101.741 flat angles C4'-P-C4' energy: -123.364 flat angles P-C4'-P energy: -74.455 tors. eta vs tors. theta energy: -135.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1411.576742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.576742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.576742 (E_RNA) where: Base-Base interactions energy: -885.644 where: short stacking energy: -389.634 Base-Backbone interact. energy: 1.549 local terms energy: -527.481742 where: bonds (distance) C4'-P energy: -105.951 bonds (distance) P-C4' energy: -109.229 flat angles C4'-P-C4' energy: -116.314 flat angles P-C4'-P energy: -78.535 tors. eta vs tors. theta energy: -117.452 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: 2 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1148.282361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.282361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.282361 (E_RNA) where: Base-Base interactions energy: -695.831 where: short stacking energy: -335.946 Base-Backbone interact. energy: -2.911 local terms energy: -449.540334 where: bonds (distance) C4'-P energy: -92.477 bonds (distance) P-C4' energy: -123.519 flat angles C4'-P-C4' energy: -106.500 flat angles P-C4'-P energy: -51.768 tors. eta vs tors. theta energy: -75.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -616.200016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.200016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.200016 (E_RNA) where: Base-Base interactions energy: -272.498 where: short stacking energy: -173.344 Base-Backbone interact. energy: -0.760 local terms energy: -342.942328 where: bonds (distance) C4'-P energy: -97.595 bonds (distance) P-C4' energy: -112.340 flat angles C4'-P-C4' energy: -85.459 flat angles P-C4'-P energy: -58.704 tors. eta vs tors. theta energy: 11.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -601.830077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.830077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.830077 (E_RNA) where: Base-Base interactions energy: -253.053 where: short stacking energy: -169.198 Base-Backbone interact. energy: 2.576 local terms energy: -351.352943 where: bonds (distance) C4'-P energy: -97.358 bonds (distance) P-C4' energy: -113.602 flat angles C4'-P-C4' energy: -78.145 flat angles P-C4'-P energy: -57.662 tors. eta vs tors. theta energy: -4.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -450.614766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.614766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.614766 (E_RNA) where: Base-Base interactions energy: -151.125 where: short stacking energy: -124.071 Base-Backbone interact. energy: 2.336 local terms energy: -301.825956 where: bonds (distance) C4'-P energy: -110.468 bonds (distance) P-C4' energy: -110.542 flat angles C4'-P-C4' energy: -87.876 flat angles P-C4'-P energy: -27.836 tors. eta vs tors. theta energy: 34.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2025.767300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.767300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.767300 (E_RNA) where: Base-Base interactions energy: -1354.146 where: short stacking energy: -592.235 Base-Backbone interact. energy: -2.767 local terms energy: -668.854044 where: bonds (distance) C4'-P energy: -117.668 bonds (distance) P-C4' energy: -137.930 flat angles C4'-P-C4' energy: -143.736 flat angles P-C4'-P energy: -91.372 tors. eta vs tors. theta energy: -178.149 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: 7 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1974.805658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.805658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.805658 (E_RNA) where: Base-Base interactions energy: -1334.026 where: short stacking energy: -564.485 Base-Backbone interact. energy: -1.258 local terms energy: -639.522105 where: bonds (distance) C4'-P energy: -119.829 bonds (distance) P-C4' energy: -124.431 flat angles C4'-P-C4' energy: -141.255 flat angles P-C4'-P energy: -79.887 tors. eta vs tors. theta energy: -174.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1924.571724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.571724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.571724 (E_RNA) where: Base-Base interactions energy: -1310.116 where: short stacking energy: -535.187 Base-Backbone interact. energy: -1.857 local terms energy: -612.598125 where: bonds (distance) C4'-P energy: -112.059 bonds (distance) P-C4' energy: -107.599 flat angles C4'-P-C4' energy: -130.244 flat angles P-C4'-P energy: -95.118 tors. eta vs tors. theta energy: -167.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1810.577571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.577571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.577571 (E_RNA) where: Base-Base interactions energy: -1218.994 where: short stacking energy: -520.194 Base-Backbone interact. energy: -2.836 local terms energy: -588.747032 where: bonds (distance) C4'-P energy: -110.018 bonds (distance) P-C4' energy: -114.032 flat angles C4'-P-C4' energy: -129.573 flat angles P-C4'-P energy: -83.116 tors. eta vs tors. theta energy: -152.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1653.110734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.110734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.110734 (E_RNA) where: Base-Base interactions energy: -1096.986 where: short stacking energy: -464.371 Base-Backbone interact. energy: 2.145 local terms energy: -558.269465 where: bonds (distance) C4'-P energy: -107.152 bonds (distance) P-C4' energy: -112.542 flat angles C4'-P-C4' energy: -115.722 flat angles P-C4'-P energy: -87.614 tors. eta vs tors. theta energy: -135.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1432.192732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.192732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.192732 (E_RNA) where: Base-Base interactions energy: -924.221 where: short stacking energy: -397.377 Base-Backbone interact. energy: 3.872 local terms energy: -511.843202 where: bonds (distance) C4'-P energy: -104.578 bonds (distance) P-C4' energy: -129.011 flat angles C4'-P-C4' energy: -112.498 flat angles P-C4'-P energy: -65.498 tors. eta vs tors. theta energy: -100.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1091.564459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.564459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.564459 (E_RNA) where: Base-Base interactions energy: -659.369 where: short stacking energy: -297.926 Base-Backbone interact. energy: -3.464 local terms energy: -428.731679 where: bonds (distance) C4'-P energy: -105.517 bonds (distance) P-C4' energy: -104.716 flat angles C4'-P-C4' energy: -109.400 flat angles P-C4'-P energy: -54.819 tors. eta vs tors. theta energy: -54.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -622.950125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.950125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.950125 (E_RNA) where: Base-Base interactions energy: -261.334 where: short stacking energy: -193.451 Base-Backbone interact. energy: 0.103 local terms energy: -361.719218 where: bonds (distance) C4'-P energy: -101.919 bonds (distance) P-C4' energy: -87.761 flat angles C4'-P-C4' energy: -108.768 flat angles P-C4'-P energy: -49.600 tors. eta vs tors. theta energy: -13.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -564.093979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.093979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.093979 (E_RNA) where: Base-Base interactions energy: -239.040 where: short stacking energy: -162.812 Base-Backbone interact. energy: 0.635 local terms energy: -325.689646 where: bonds (distance) C4'-P energy: -94.206 bonds (distance) P-C4' energy: -113.092 flat angles C4'-P-C4' energy: -79.287 flat angles P-C4'-P energy: -47.139 tors. eta vs tors. theta energy: 8.035 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: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -451.390524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.390524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.390524 (E_RNA) where: Base-Base interactions energy: -157.899 where: short stacking energy: -118.014 Base-Backbone interact. energy: -2.804 local terms energy: -290.687786 where: bonds (distance) C4'-P energy: -96.024 bonds (distance) P-C4' energy: -97.815 flat angles C4'-P-C4' energy: -74.414 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: 18.641 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: 1, replica: 5 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2023.278577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.278577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.278577 (E_RNA) where: Base-Base interactions energy: -1341.331 where: short stacking energy: -588.559 Base-Backbone interact. energy: -2.121 local terms energy: -679.825853 where: bonds (distance) C4'-P energy: -125.329 bonds (distance) P-C4' energy: -126.001 flat angles C4'-P-C4' energy: -146.782 flat angles P-C4'-P energy: -100.342 tors. eta vs tors. theta energy: -181.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1966.395677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.395677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.395677 (E_RNA) where: Base-Base interactions energy: -1354.996 where: short stacking energy: -546.071 Base-Backbone interact. energy: 0.998 local terms energy: -612.397771 where: bonds (distance) C4'-P energy: -109.614 bonds (distance) P-C4' energy: -120.452 flat angles C4'-P-C4' energy: -132.019 flat angles P-C4'-P energy: -81.104 tors. eta vs tors. theta energy: -169.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1919.982952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.982952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.982952 (E_RNA) where: Base-Base interactions energy: -1312.649 where: short stacking energy: -544.674 Base-Backbone interact. energy: -2.308 local terms energy: -605.026217 where: bonds (distance) C4'-P energy: -111.000 bonds (distance) P-C4' energy: -113.581 flat angles C4'-P-C4' energy: -124.484 flat angles P-C4'-P energy: -81.617 tors. eta vs tors. theta energy: -174.344 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: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1780.211468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.211468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.211468 (E_RNA) where: Base-Base interactions energy: -1206.928 where: short stacking energy: -502.759 Base-Backbone interact. energy: -2.831 local terms energy: -570.452416 where: bonds (distance) C4'-P energy: -101.807 bonds (distance) P-C4' energy: -102.140 flat angles C4'-P-C4' energy: -133.779 flat angles P-C4'-P energy: -80.999 tors. eta vs tors. theta energy: -151.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1660.014721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.014721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.014721 (E_RNA) where: Base-Base interactions energy: -1122.751 where: short stacking energy: -480.909 Base-Backbone interact. energy: -1.523 local terms energy: -535.740835 where: bonds (distance) C4'-P energy: -113.283 bonds (distance) P-C4' energy: -103.326 flat angles C4'-P-C4' energy: -110.886 flat angles P-C4'-P energy: -64.706 tors. eta vs tors. theta energy: -143.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1441.296563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.296563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.296563 (E_RNA) where: Base-Base interactions energy: -926.489 where: short stacking energy: -404.858 Base-Backbone interact. energy: -2.319 local terms energy: -512.488761 where: bonds (distance) C4'-P energy: -96.585 bonds (distance) P-C4' energy: -108.228 flat angles C4'-P-C4' energy: -115.937 flat angles P-C4'-P energy: -70.050 tors. eta vs tors. theta energy: -121.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1148.547517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.547517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.547517 (E_RNA) where: Base-Base interactions energy: -704.708 where: short stacking energy: -318.913 Base-Backbone interact. energy: -2.237 local terms energy: -441.601572 where: bonds (distance) C4'-P energy: -114.402 bonds (distance) P-C4' energy: -110.865 flat angles C4'-P-C4' energy: -105.672 flat angles P-C4'-P energy: -50.871 tors. eta vs tors. theta energy: -59.792 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: 8 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -662.350265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.350265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.350265 (E_RNA) where: Base-Base interactions energy: -292.024 where: short stacking energy: -190.991 Base-Backbone interact. energy: -0.295 local terms energy: -370.030779 where: bonds (distance) C4'-P energy: -91.170 bonds (distance) P-C4' energy: -108.502 flat angles C4'-P-C4' energy: -91.795 flat angles P-C4'-P energy: -64.320 tors. eta vs tors. theta energy: -14.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -592.947121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.947121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.947121 (E_RNA) where: Base-Base interactions energy: -265.293 where: short stacking energy: -166.227 Base-Backbone interact. energy: -1.389 local terms energy: -326.265512 where: bonds (distance) C4'-P energy: -96.522 bonds (distance) P-C4' energy: -106.099 flat angles C4'-P-C4' energy: -85.976 flat angles P-C4'-P energy: -46.431 tors. eta vs tors. theta energy: 8.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -554.327797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.327797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.327797 (E_RNA) where: Base-Base interactions energy: -229.069 where: short stacking energy: -143.573 Base-Backbone interact. energy: -0.994 local terms energy: -324.264296 where: bonds (distance) C4'-P energy: -74.410 bonds (distance) P-C4' energy: -108.721 flat angles C4'-P-C4' energy: -93.084 flat angles P-C4'-P energy: -49.133 tors. eta vs tors. theta energy: 1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1983.834973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.834973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.834973 (E_RNA) where: Base-Base interactions energy: -1327.460 where: short stacking energy: -572.751 Base-Backbone interact. energy: -5.261 local terms energy: -651.113706 where: bonds (distance) C4'-P energy: -118.599 bonds (distance) P-C4' energy: -129.569 flat angles C4'-P-C4' energy: -138.709 flat angles P-C4'-P energy: -94.942 tors. eta vs tors. theta energy: -169.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2010.458133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.458133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.458133 (E_RNA) where: Base-Base interactions energy: -1385.733 where: short stacking energy: -601.043 Base-Backbone interact. energy: 0.449 local terms energy: -625.174528 where: bonds (distance) C4'-P energy: -124.501 bonds (distance) P-C4' energy: -106.153 flat angles C4'-P-C4' energy: -133.474 flat angles P-C4'-P energy: -85.934 tors. eta vs tors. theta energy: -175.112 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: 10 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1887.358597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.358597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.358597 (E_RNA) where: Base-Base interactions energy: -1275.734 where: short stacking energy: -542.553 Base-Backbone interact. energy: -2.967 local terms energy: -608.658294 where: bonds (distance) C4'-P energy: -110.759 bonds (distance) P-C4' energy: -107.851 flat angles C4'-P-C4' energy: -136.327 flat angles P-C4'-P energy: -90.924 tors. eta vs tors. theta energy: -162.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1824.070607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.070607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.070607 (E_RNA) where: Base-Base interactions energy: -1223.737 where: short stacking energy: -521.444 Base-Backbone interact. energy: -3.048 local terms energy: -597.284938 where: bonds (distance) C4'-P energy: -98.407 bonds (distance) P-C4' energy: -118.776 flat angles C4'-P-C4' energy: -121.717 flat angles P-C4'-P energy: -95.227 tors. eta vs tors. theta energy: -163.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1659.926504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.926504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.926504 (E_RNA) where: Base-Base interactions energy: -1089.271 where: short stacking energy: -475.627 Base-Backbone interact. energy: -4.759 local terms energy: -565.896154 where: bonds (distance) C4'-P energy: -101.683 bonds (distance) P-C4' energy: -115.569 flat angles C4'-P-C4' energy: -127.565 flat angles P-C4'-P energy: -87.231 tors. eta vs tors. theta energy: -133.848 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: 6, replica: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1342.013224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.013224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.013224 (E_RNA) where: Base-Base interactions energy: -857.247 where: short stacking energy: -371.922 Base-Backbone interact. energy: -3.014 local terms energy: -481.752296 where: bonds (distance) C4'-P energy: -113.666 bonds (distance) P-C4' energy: -112.751 flat angles C4'-P-C4' energy: -109.538 flat angles P-C4'-P energy: -58.239 tors. eta vs tors. theta energy: -87.559 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: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1258.521805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.521805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.521805 (E_RNA) where: Base-Base interactions energy: -829.519 where: short stacking energy: -365.964 Base-Backbone interact. energy: 3.762 local terms energy: -432.764342 where: bonds (distance) C4'-P energy: -88.661 bonds (distance) P-C4' energy: -104.203 flat angles C4'-P-C4' energy: -103.915 flat angles P-C4'-P energy: -56.198 tors. eta vs tors. theta energy: -79.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -652.001674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.001674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.001674 (E_RNA) where: Base-Base interactions energy: -276.312 where: short stacking energy: -187.627 Base-Backbone interact. energy: 0.712 local terms energy: -376.400922 where: bonds (distance) C4'-P energy: -106.962 bonds (distance) P-C4' energy: -105.817 flat angles C4'-P-C4' energy: -104.519 flat angles P-C4'-P energy: -54.934 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -540.784219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.784219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.784219 (E_RNA) where: Base-Base interactions energy: -214.786 where: short stacking energy: -164.239 Base-Backbone interact. energy: -1.834 local terms energy: -324.163874 where: bonds (distance) C4'-P energy: -86.005 bonds (distance) P-C4' energy: -88.118 flat angles C4'-P-C4' energy: -80.223 flat angles P-C4'-P energy: -64.164 tors. eta vs tors. theta energy: -5.653 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: 6 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -522.309024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.309024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.309024 (E_RNA) where: Base-Base interactions energy: -227.604 where: short stacking energy: -160.880 Base-Backbone interact. energy: 5.128 local terms energy: -299.833455 where: bonds (distance) C4'-P energy: -100.649 bonds (distance) P-C4' energy: -98.299 flat angles C4'-P-C4' energy: -64.782 flat angles P-C4'-P energy: -48.223 tors. eta vs tors. theta energy: 12.120 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: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2013.928265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.928265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.928265 (E_RNA) where: Base-Base interactions energy: -1361.335 where: short stacking energy: -599.309 Base-Backbone interact. energy: -2.551 local terms energy: -650.041441 where: bonds (distance) C4'-P energy: -129.135 bonds (distance) P-C4' energy: -127.845 flat angles C4'-P-C4' energy: -135.250 flat angles P-C4'-P energy: -89.754 tors. eta vs tors. theta energy: -168.058 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: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1978.511260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.511260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.511260 (E_RNA) where: Base-Base interactions energy: -1334.560 where: short stacking energy: -567.795 Base-Backbone interact. energy: -1.204 local terms energy: -642.747763 where: bonds (distance) C4'-P energy: -125.619 bonds (distance) P-C4' energy: -132.288 flat angles C4'-P-C4' energy: -121.430 flat angles P-C4'-P energy: -86.916 tors. eta vs tors. theta energy: -176.495 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: 10 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1895.840372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.840372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.840372 (E_RNA) where: Base-Base interactions energy: -1267.692 where: short stacking energy: -548.648 Base-Backbone interact. energy: -2.014 local terms energy: -626.134296 where: bonds (distance) C4'-P energy: -113.422 bonds (distance) P-C4' energy: -117.398 flat angles C4'-P-C4' energy: -135.080 flat angles P-C4'-P energy: -89.368 tors. eta vs tors. theta energy: -170.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1823.481675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.481675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.481675 (E_RNA) where: Base-Base interactions energy: -1224.359 where: short stacking energy: -487.149 Base-Backbone interact. energy: -4.324 local terms energy: -594.798727 where: bonds (distance) C4'-P energy: -102.724 bonds (distance) P-C4' energy: -121.812 flat angles C4'-P-C4' energy: -136.366 flat angles P-C4'-P energy: -78.612 tors. eta vs tors. theta energy: -155.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1675.210719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.210719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.210719 (E_RNA) where: Base-Base interactions energy: -1126.136 where: short stacking energy: -469.240 Base-Backbone interact. energy: 0.827 local terms energy: -549.901843 where: bonds (distance) C4'-P energy: -106.345 bonds (distance) P-C4' energy: -112.076 flat angles C4'-P-C4' energy: -120.160 flat angles P-C4'-P energy: -82.371 tors. eta vs tors. theta energy: -128.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1367.850340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.850340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.850340 (E_RNA) where: Base-Base interactions energy: -892.615 where: short stacking energy: -395.089 Base-Backbone interact. energy: -2.131 local terms energy: -473.104892 where: bonds (distance) C4'-P energy: -93.486 bonds (distance) P-C4' energy: -105.485 flat angles C4'-P-C4' energy: -109.001 flat angles P-C4'-P energy: -63.220 tors. eta vs tors. theta energy: -101.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1348.939752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.939752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.939752 (E_RNA) where: Base-Base interactions energy: -862.240 where: short stacking energy: -368.983 Base-Backbone interact. energy: -1.779 local terms energy: -484.920537 where: bonds (distance) C4'-P energy: -104.320 bonds (distance) P-C4' energy: -122.284 flat angles C4'-P-C4' energy: -106.315 flat angles P-C4'-P energy: -57.885 tors. eta vs tors. theta energy: -94.116 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: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -651.539537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.539537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.539537 (E_RNA) where: Base-Base interactions energy: -318.947 where: short stacking energy: -192.871 Base-Backbone interact. energy: 4.419 local terms energy: -337.011405 where: bonds (distance) C4'-P energy: -97.928 bonds (distance) P-C4' energy: -97.233 flat angles C4'-P-C4' energy: -102.977 flat angles P-C4'-P energy: -46.112 tors. eta vs tors. theta energy: 7.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -516.496389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.496389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.496389 (E_RNA) where: Base-Base interactions energy: -197.598 where: short stacking energy: -150.404 Base-Backbone interact. energy: -0.653 local terms energy: -318.245741 where: bonds (distance) C4'-P energy: -92.821 bonds (distance) P-C4' energy: -111.285 flat angles C4'-P-C4' energy: -79.375 flat angles P-C4'-P energy: -42.542 tors. eta vs tors. theta energy: 7.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -532.501275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.501275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.501275 (E_RNA) where: Base-Base interactions energy: -217.686 where: short stacking energy: -138.712 Base-Backbone interact. energy: -3.074 local terms energy: -311.741805 where: bonds (distance) C4'-P energy: -103.310 bonds (distance) P-C4' energy: -93.072 flat angles C4'-P-C4' energy: -88.398 flat angles P-C4'-P energy: -50.842 tors. eta vs tors. theta energy: 23.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2047.825989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.825989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.825989 (E_RNA) where: Base-Base interactions energy: -1384.080 where: short stacking energy: -591.584 Base-Backbone interact. energy: 2.498 local terms energy: -666.244434 where: bonds (distance) C4'-P energy: -128.874 bonds (distance) P-C4' energy: -116.982 flat angles C4'-P-C4' energy: -144.583 flat angles P-C4'-P energy: -101.176 tors. eta vs tors. theta energy: -174.630 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: 7 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1942.724495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.724495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.724495 (E_RNA) where: Base-Base interactions energy: -1300.712 where: short stacking energy: -543.267 Base-Backbone interact. energy: -2.500 local terms energy: -639.512796 where: bonds (distance) C4'-P energy: -117.629 bonds (distance) P-C4' energy: -123.337 flat angles C4'-P-C4' energy: -144.186 flat angles P-C4'-P energy: -91.466 tors. eta vs tors. theta energy: -162.894 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: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1868.956879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.956879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.956879 (E_RNA) where: Base-Base interactions energy: -1270.605 where: short stacking energy: -509.726 Base-Backbone interact. energy: 1.422 local terms energy: -599.773222 where: bonds (distance) C4'-P energy: -124.091 bonds (distance) P-C4' energy: -113.609 flat angles C4'-P-C4' energy: -123.019 flat angles P-C4'-P energy: -84.425 tors. eta vs tors. theta energy: -154.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1832.202074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.202074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.202074 (E_RNA) where: Base-Base interactions energy: -1231.654 where: short stacking energy: -514.743 Base-Backbone interact. energy: -3.197 local terms energy: -597.351489 where: bonds (distance) C4'-P energy: -104.059 bonds (distance) P-C4' energy: -116.474 flat angles C4'-P-C4' energy: -134.981 flat angles P-C4'-P energy: -73.837 tors. eta vs tors. theta energy: -168.000 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: 1 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1732.856704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.856704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.856704 (E_RNA) where: Base-Base interactions energy: -1173.442 where: short stacking energy: -482.117 Base-Backbone interact. energy: -1.808 local terms energy: -557.606578 where: bonds (distance) C4'-P energy: -107.459 bonds (distance) P-C4' energy: -112.559 flat angles C4'-P-C4' energy: -124.738 flat angles P-C4'-P energy: -78.937 tors. eta vs tors. theta energy: -133.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1407.763507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.763507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.763507 (E_RNA) where: Base-Base interactions energy: -922.554 where: short stacking energy: -394.474 Base-Backbone interact. energy: -2.053 local terms energy: -483.155741 where: bonds (distance) C4'-P energy: -106.848 bonds (distance) P-C4' energy: -92.155 flat angles C4'-P-C4' energy: -112.240 flat angles P-C4'-P energy: -68.777 tors. eta vs tors. theta energy: -103.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1385.651783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.651783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.651783 (E_RNA) where: Base-Base interactions energy: -911.090 where: short stacking energy: -407.835 Base-Backbone interact. energy: -0.926 local terms energy: -473.635615 where: bonds (distance) C4'-P energy: -91.026 bonds (distance) P-C4' energy: -103.153 flat angles C4'-P-C4' energy: -99.796 flat angles P-C4'-P energy: -77.717 tors. eta vs tors. theta energy: -101.943 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: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -646.642388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.642388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.642388 (E_RNA) where: Base-Base interactions energy: -288.864 where: short stacking energy: -185.822 Base-Backbone interact. energy: 3.464 local terms energy: -361.242370 where: bonds (distance) C4'-P energy: -90.629 bonds (distance) P-C4' energy: -111.984 flat angles C4'-P-C4' energy: -96.750 flat angles P-C4'-P energy: -59.781 tors. eta vs tors. theta energy: -2.099 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: 6 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -567.685805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.685805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.685805 (E_RNA) where: Base-Base interactions energy: -229.258 where: short stacking energy: -146.411 Base-Backbone interact. energy: 7.712 local terms energy: -346.139633 where: bonds (distance) C4'-P energy: -110.934 bonds (distance) P-C4' energy: -97.382 flat angles C4'-P-C4' energy: -96.993 flat angles P-C4'-P energy: -61.634 tors. eta vs tors. theta energy: 20.803 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: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -488.695308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.695308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.695308 (E_RNA) where: Base-Base interactions energy: -147.307 where: short stacking energy: -111.354 Base-Backbone interact. energy: -3.838 local terms energy: -337.550328 where: bonds (distance) C4'-P energy: -85.065 bonds (distance) P-C4' energy: -134.116 flat angles C4'-P-C4' energy: -86.813 flat angles P-C4'-P energy: -59.634 tors. eta vs tors. theta energy: 28.077 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: 145 Temperature: 0.900000 Total energy: -2043.415384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.415384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.415384 (E_RNA) where: Base-Base interactions energy: -1393.902 where: short stacking energy: -579.247 Base-Backbone interact. energy: -3.140 local terms energy: -646.373787 where: bonds (distance) C4'-P energy: -125.780 bonds (distance) P-C4' energy: -117.809 flat angles C4'-P-C4' energy: -142.012 flat angles P-C4'-P energy: -86.689 tors. eta vs tors. theta energy: -174.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1987.115539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.115539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.115539 (E_RNA) where: Base-Base interactions energy: -1341.434 where: short stacking energy: -575.899 Base-Backbone interact. energy: -0.724 local terms energy: -644.957317 where: bonds (distance) C4'-P energy: -118.172 bonds (distance) P-C4' energy: -136.036 flat angles C4'-P-C4' energy: -122.303 flat angles P-C4'-P energy: -94.748 tors. eta vs tors. theta energy: -173.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1896.145422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.145422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.145422 (E_RNA) where: Base-Base interactions energy: -1279.187 where: short stacking energy: -518.478 Base-Backbone interact. energy: -3.633 local terms energy: -613.325119 where: bonds (distance) C4'-P energy: -106.396 bonds (distance) P-C4' energy: -135.755 flat angles C4'-P-C4' energy: -133.596 flat angles P-C4'-P energy: -70.262 tors. eta vs tors. theta energy: -167.317 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: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1835.161835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.161835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.161835 (E_RNA) where: Base-Base interactions energy: -1252.559 where: short stacking energy: -529.772 Base-Backbone interact. energy: -1.242 local terms energy: -581.360128 where: bonds (distance) C4'-P energy: -97.017 bonds (distance) P-C4' energy: -128.059 flat angles C4'-P-C4' energy: -128.437 flat angles P-C4'-P energy: -72.352 tors. eta vs tors. theta energy: -155.495 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: 1 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1694.585800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.585800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.585800 (E_RNA) where: Base-Base interactions energy: -1128.460 where: short stacking energy: -461.283 Base-Backbone interact. energy: -1.854 local terms energy: -564.271819 where: bonds (distance) C4'-P energy: -113.786 bonds (distance) P-C4' energy: -110.750 flat angles C4'-P-C4' energy: -116.958 flat angles P-C4'-P energy: -82.802 tors. eta vs tors. theta energy: -139.975 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: 6, replica: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1491.215859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.215859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.215859 (E_RNA) where: Base-Base interactions energy: -945.960 where: short stacking energy: -448.682 Base-Backbone interact. energy: 1.114 local terms energy: -546.370096 where: bonds (distance) C4'-P energy: -104.788 bonds (distance) P-C4' energy: -87.936 flat angles C4'-P-C4' energy: -137.036 flat angles P-C4'-P energy: -84.995 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: 7, replica: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1198.706611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.706611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.706611 (E_RNA) where: Base-Base interactions energy: -730.866 where: short stacking energy: -332.775 Base-Backbone interact. energy: -0.704 local terms energy: -467.136041 where: bonds (distance) C4'-P energy: -98.831 bonds (distance) P-C4' energy: -124.727 flat angles C4'-P-C4' energy: -107.234 flat angles P-C4'-P energy: -66.878 tors. eta vs tors. theta energy: -69.467 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: 8 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -699.263129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.263129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.263129 (E_RNA) where: Base-Base interactions energy: -323.369 where: short stacking energy: -202.764 Base-Backbone interact. energy: -0.450 local terms energy: -375.444328 where: bonds (distance) C4'-P energy: -98.646 bonds (distance) P-C4' energy: -93.021 flat angles C4'-P-C4' energy: -93.048 flat angles P-C4'-P energy: -77.415 tors. eta vs tors. theta energy: -13.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -591.567643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.567643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.567643 (E_RNA) where: Base-Base interactions energy: -266.761 where: short stacking energy: -159.467 Base-Backbone interact. energy: 1.572 local terms energy: -326.379407 where: bonds (distance) C4'-P energy: -91.857 bonds (distance) P-C4' energy: -98.346 flat angles C4'-P-C4' energy: -91.791 flat angles P-C4'-P energy: -57.714 tors. eta vs tors. theta energy: 13.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -463.319845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.319845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.319845 (E_RNA) where: Base-Base interactions energy: -121.027 where: short stacking energy: -101.684 Base-Backbone interact. energy: -2.352 local terms energy: -339.940716 where: bonds (distance) C4'-P energy: -103.551 bonds (distance) P-C4' energy: -112.452 flat angles C4'-P-C4' energy: -94.019 flat angles P-C4'-P energy: -62.785 tors. eta vs tors. theta energy: 32.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2064.828800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.828800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.828800 (E_RNA) where: Base-Base interactions energy: -1390.318 where: short stacking energy: -589.804 Base-Backbone interact. energy: -2.712 local terms energy: -671.798335 where: bonds (distance) C4'-P energy: -129.370 bonds (distance) P-C4' energy: -113.209 flat angles C4'-P-C4' energy: -144.391 flat angles P-C4'-P energy: -103.657 tors. eta vs tors. theta energy: -181.171 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: 7 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1990.328419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.328419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.328419 (E_RNA) where: Base-Base interactions energy: -1347.882 where: short stacking energy: -568.010 Base-Backbone interact. energy: -3.160 local terms energy: -639.286868 where: bonds (distance) C4'-P energy: -115.222 bonds (distance) P-C4' energy: -112.548 flat angles C4'-P-C4' energy: -133.734 flat angles P-C4'-P energy: -91.028 tors. eta vs tors. theta energy: -186.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1894.463546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.463546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.463546 (E_RNA) where: Base-Base interactions energy: -1289.379 where: short stacking energy: -532.109 Base-Backbone interact. energy: 2.264 local terms energy: -607.348114 where: bonds (distance) C4'-P energy: -110.161 bonds (distance) P-C4' energy: -120.665 flat angles C4'-P-C4' energy: -126.026 flat angles P-C4'-P energy: -85.144 tors. eta vs tors. theta energy: -165.352 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: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1847.029499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.029499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.029499 (E_RNA) where: Base-Base interactions energy: -1268.371 where: short stacking energy: -528.940 Base-Backbone interact. energy: -1.270 local terms energy: -577.387648 where: bonds (distance) C4'-P energy: -99.625 bonds (distance) P-C4' energy: -110.636 flat angles C4'-P-C4' energy: -130.013 flat angles P-C4'-P energy: -70.486 tors. eta vs tors. theta energy: -166.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1682.395426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.395426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.395426 (E_RNA) where: Base-Base interactions energy: -1123.868 where: short stacking energy: -455.995 Base-Backbone interact. energy: -2.317 local terms energy: -556.209661 where: bonds (distance) C4'-P energy: -115.187 bonds (distance) P-C4' energy: -114.744 flat angles C4'-P-C4' energy: -121.480 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: -127.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1459.969101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.969101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.969101 (E_RNA) where: Base-Base interactions energy: -906.755 where: short stacking energy: -417.505 Base-Backbone interact. energy: -5.985 local terms energy: -547.229154 where: bonds (distance) C4'-P energy: -114.651 bonds (distance) P-C4' energy: -115.719 flat angles C4'-P-C4' energy: -117.408 flat angles P-C4'-P energy: -80.472 tors. eta vs tors. theta energy: -118.980 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: 2 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1146.215427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.215427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.215427 (E_RNA) where: Base-Base interactions energy: -677.982 where: short stacking energy: -311.247 Base-Backbone interact. energy: -5.346 local terms energy: -462.887442 where: bonds (distance) C4'-P energy: -102.461 bonds (distance) P-C4' energy: -110.254 flat angles C4'-P-C4' energy: -107.971 flat angles P-C4'-P energy: -70.272 tors. eta vs tors. theta energy: -71.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -671.942832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.942832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.942832 (E_RNA) where: Base-Base interactions energy: -329.325 where: short stacking energy: -208.440 Base-Backbone interact. energy: 3.764 local terms energy: -346.381661 where: bonds (distance) C4'-P energy: -105.883 bonds (distance) P-C4' energy: -103.444 flat angles C4'-P-C4' energy: -87.755 flat angles P-C4'-P energy: -51.254 tors. eta vs tors. theta energy: 1.954 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: 6 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -558.602910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.602910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.602910 (E_RNA) where: Base-Base interactions energy: -230.989 where: short stacking energy: -150.746 Base-Backbone interact. energy: 1.723 local terms energy: -329.337270 where: bonds (distance) C4'-P energy: -103.719 bonds (distance) P-C4' energy: -98.403 flat angles C4'-P-C4' energy: -70.463 flat angles P-C4'-P energy: -59.496 tors. eta vs tors. theta energy: 2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -485.528416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.528416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.528416 (E_RNA) where: Base-Base interactions energy: -169.891 where: short stacking energy: -140.449 Base-Backbone interact. energy: -3.917 local terms energy: -311.720645 where: bonds (distance) C4'-P energy: -90.519 bonds (distance) P-C4' energy: -105.241 flat angles C4'-P-C4' energy: -92.225 flat angles P-C4'-P energy: -45.786 tors. eta vs tors. theta energy: 22.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2022.637689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.637689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.637689 (E_RNA) where: Base-Base interactions energy: -1379.430 where: short stacking energy: -580.551 Base-Backbone interact. energy: -2.198 local terms energy: -641.009798 where: bonds (distance) C4'-P energy: -116.372 bonds (distance) P-C4' energy: -122.361 flat angles C4'-P-C4' energy: -137.939 flat angles P-C4'-P energy: -93.022 tors. eta vs tors. theta energy: -171.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1968.916250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.916250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.916250 (E_RNA) where: Base-Base interactions energy: -1334.848 where: short stacking energy: -571.176 Base-Backbone interact. energy: -3.706 local terms energy: -630.361796 where: bonds (distance) C4'-P energy: -124.191 bonds (distance) P-C4' energy: -116.025 flat angles C4'-P-C4' energy: -133.670 flat angles P-C4'-P energy: -78.114 tors. eta vs tors. theta energy: -178.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1939.259281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.259281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.259281 (E_RNA) where: Base-Base interactions energy: -1310.429 where: short stacking energy: -577.124 Base-Backbone interact. energy: 1.661 local terms energy: -630.492021 where: bonds (distance) C4'-P energy: -117.916 bonds (distance) P-C4' energy: -125.758 flat angles C4'-P-C4' energy: -135.266 flat angles P-C4'-P energy: -71.032 tors. eta vs tors. theta energy: -180.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1837.241025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.241025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.241025 (E_RNA) where: Base-Base interactions energy: -1258.880 where: short stacking energy: -512.617 Base-Backbone interact. energy: -2.767 local terms energy: -575.594203 where: bonds (distance) C4'-P energy: -91.640 bonds (distance) P-C4' energy: -114.230 flat angles C4'-P-C4' energy: -130.867 flat angles P-C4'-P energy: -74.595 tors. eta vs tors. theta energy: -164.262 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: 1 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1698.887766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.887766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.887766 (E_RNA) where: Base-Base interactions energy: -1149.115 where: short stacking energy: -461.698 Base-Backbone interact. energy: -3.457 local terms energy: -546.315856 where: bonds (distance) C4'-P energy: -98.312 bonds (distance) P-C4' energy: -104.148 flat angles C4'-P-C4' energy: -139.439 flat angles P-C4'-P energy: -77.154 tors. eta vs tors. theta energy: -127.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1448.392449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.392449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.392449 (E_RNA) where: Base-Base interactions energy: -922.991 where: short stacking energy: -422.877 Base-Backbone interact. energy: 0.897 local terms energy: -526.298433 where: bonds (distance) C4'-P energy: -109.791 bonds (distance) P-C4' energy: -102.135 flat angles C4'-P-C4' energy: -122.602 flat angles P-C4'-P energy: -70.387 tors. eta vs tors. theta energy: -121.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1237.960653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.960653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.960653 (E_RNA) where: Base-Base interactions energy: -771.103 where: short stacking energy: -345.367 Base-Backbone interact. energy: 0.514 local terms energy: -467.371591 where: bonds (distance) C4'-P energy: -115.467 bonds (distance) P-C4' energy: -103.420 flat angles C4'-P-C4' energy: -98.165 flat angles P-C4'-P energy: -76.190 tors. eta vs tors. theta energy: -74.130 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: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -691.941273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.941273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.941273 (E_RNA) where: Base-Base interactions energy: -305.227 where: short stacking energy: -203.963 Base-Backbone interact. energy: -0.588 local terms energy: -386.125833 where: bonds (distance) C4'-P energy: -105.305 bonds (distance) P-C4' energy: -102.661 flat angles C4'-P-C4' energy: -94.212 flat angles P-C4'-P energy: -70.438 tors. eta vs tors. theta energy: -13.511 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: 6 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -525.050822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.050822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.050822 (E_RNA) where: Base-Base interactions energy: -215.056 where: short stacking energy: -154.659 Base-Backbone interact. energy: 0.572 local terms energy: -310.567411 where: bonds (distance) C4'-P energy: -76.190 bonds (distance) P-C4' energy: -110.376 flat angles C4'-P-C4' energy: -72.151 flat angles P-C4'-P energy: -68.228 tors. eta vs tors. theta energy: 16.377 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: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -478.116240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.116240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.116240 (E_RNA) where: Base-Base interactions energy: -160.072 where: short stacking energy: -125.129 Base-Backbone interact. energy: 0.224 local terms energy: -318.268339 where: bonds (distance) C4'-P energy: -99.368 bonds (distance) P-C4' energy: -102.589 flat angles C4'-P-C4' energy: -89.400 flat angles P-C4'-P energy: -49.523 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: 1, replica: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2050.928356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.928356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.928356 (E_RNA) where: Base-Base interactions energy: -1410.096 where: short stacking energy: -575.503 Base-Backbone interact. energy: -5.925 local terms energy: -634.907816 where: bonds (distance) C4'-P energy: -112.794 bonds (distance) P-C4' energy: -111.406 flat angles C4'-P-C4' energy: -132.819 flat angles P-C4'-P energy: -99.882 tors. eta vs tors. theta energy: -178.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2009.340847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.340847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.340847 (E_RNA) where: Base-Base interactions energy: -1377.215 where: short stacking energy: -593.583 Base-Backbone interact. energy: -4.968 local terms energy: -627.157949 where: bonds (distance) C4'-P energy: -115.368 bonds (distance) P-C4' energy: -120.734 flat angles C4'-P-C4' energy: -132.494 flat angles P-C4'-P energy: -84.507 tors. eta vs tors. theta energy: -174.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1877.645161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.645161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.645161 (E_RNA) where: Base-Base interactions energy: -1262.769 where: short stacking energy: -512.881 Base-Backbone interact. energy: -4.037 local terms energy: -610.839924 where: bonds (distance) C4'-P energy: -120.143 bonds (distance) P-C4' energy: -120.233 flat angles C4'-P-C4' energy: -125.068 flat angles P-C4'-P energy: -81.902 tors. eta vs tors. theta energy: -163.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1826.824811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.824811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.824811 (E_RNA) where: Base-Base interactions energy: -1257.619 where: short stacking energy: -524.630 Base-Backbone interact. energy: 1.048 local terms energy: -570.254303 where: bonds (distance) C4'-P energy: -98.120 bonds (distance) P-C4' energy: -119.205 flat angles C4'-P-C4' energy: -119.213 flat angles P-C4'-P energy: -79.958 tors. eta vs tors. theta energy: -153.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1640.024912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.024912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.024912 (E_RNA) where: Base-Base interactions energy: -1102.362 where: short stacking energy: -438.595 Base-Backbone interact. energy: 5.886 local terms energy: -543.548841 where: bonds (distance) C4'-P energy: -98.043 bonds (distance) P-C4' energy: -127.241 flat angles C4'-P-C4' energy: -121.283 flat angles P-C4'-P energy: -82.580 tors. eta vs tors. theta energy: -114.402 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: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1384.841740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.841740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.841740 (E_RNA) where: Base-Base interactions energy: -889.699 where: short stacking energy: -397.581 Base-Backbone interact. energy: -1.471 local terms energy: -493.672117 where: bonds (distance) C4'-P energy: -101.329 bonds (distance) P-C4' energy: -102.866 flat angles C4'-P-C4' energy: -117.899 flat angles P-C4'-P energy: -68.619 tors. eta vs tors. theta energy: -102.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1356.541830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.541830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.541830 (E_RNA) where: Base-Base interactions energy: -843.548 where: short stacking energy: -378.465 Base-Backbone interact. energy: -1.727 local terms energy: -511.266701 where: bonds (distance) C4'-P energy: -104.060 bonds (distance) P-C4' energy: -105.558 flat angles C4'-P-C4' energy: -116.002 flat angles P-C4'-P energy: -75.750 tors. eta vs tors. theta energy: -109.897 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: 8, replica: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -653.860551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.860551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.860551 (E_RNA) where: Base-Base interactions energy: -273.340 where: short stacking energy: -167.244 Base-Backbone interact. energy: -1.034 local terms energy: -379.486800 where: bonds (distance) C4'-P energy: -100.224 bonds (distance) P-C4' energy: -106.797 flat angles C4'-P-C4' energy: -98.200 flat angles P-C4'-P energy: -68.879 tors. eta vs tors. theta energy: -5.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -501.176502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.176502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.176502 (E_RNA) where: Base-Base interactions energy: -168.402 where: short stacking energy: -127.617 Base-Backbone interact. energy: -1.453 local terms energy: -331.320901 where: bonds (distance) C4'-P energy: -105.114 bonds (distance) P-C4' energy: -113.836 flat angles C4'-P-C4' energy: -87.665 flat angles P-C4'-P energy: -56.429 tors. eta vs tors. theta energy: 31.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -452.080710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.080710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.080710 (E_RNA) where: Base-Base interactions energy: -136.283 where: short stacking energy: -127.349 Base-Backbone interact. energy: 15.222 local terms energy: -331.020386 where: bonds (distance) C4'-P energy: -96.781 bonds (distance) P-C4' energy: -115.961 flat angles C4'-P-C4' energy: -91.548 flat angles P-C4'-P energy: -49.769 tors. eta vs tors. theta energy: 23.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2023.625244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.625244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.625244 (E_RNA) where: Base-Base interactions energy: -1373.535 where: short stacking energy: -572.281 Base-Backbone interact. energy: -1.910 local terms energy: -648.180327 where: bonds (distance) C4'-P energy: -113.086 bonds (distance) P-C4' energy: -117.329 flat angles C4'-P-C4' energy: -141.811 flat angles P-C4'-P energy: -98.333 tors. eta vs tors. theta energy: -177.622 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: 7 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1950.343470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.343470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.343470 (E_RNA) where: Base-Base interactions energy: -1339.090 where: short stacking energy: -590.423 Base-Backbone interact. energy: -3.428 local terms energy: -607.824592 where: bonds (distance) C4'-P energy: -108.973 bonds (distance) P-C4' energy: -112.002 flat angles C4'-P-C4' energy: -134.803 flat angles P-C4'-P energy: -85.596 tors. eta vs tors. theta energy: -166.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1848.829402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.829402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.829402 (E_RNA) where: Base-Base interactions energy: -1296.970 where: short stacking energy: -529.510 Base-Backbone interact. energy: -2.174 local terms energy: -549.686029 where: bonds (distance) C4'-P energy: -93.504 bonds (distance) P-C4' energy: -119.135 flat angles C4'-P-C4' energy: -115.956 flat angles P-C4'-P energy: -71.825 tors. eta vs tors. theta energy: -149.267 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: 149 Temperature: 1.050000 Total energy: -1823.497863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.497863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.497863 (E_RNA) where: Base-Base interactions energy: -1237.374 where: short stacking energy: -519.810 Base-Backbone interact. energy: -2.565 local terms energy: -583.559177 where: bonds (distance) C4'-P energy: -100.368 bonds (distance) P-C4' energy: -105.162 flat angles C4'-P-C4' energy: -131.613 flat angles P-C4'-P energy: -88.702 tors. eta vs tors. theta energy: -157.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1642.442176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.442176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.442176 (E_RNA) where: Base-Base interactions energy: -1121.085 where: short stacking energy: -440.914 Base-Backbone interact. energy: 1.376 local terms energy: -522.733338 where: bonds (distance) C4'-P energy: -117.413 bonds (distance) P-C4' energy: -113.501 flat angles C4'-P-C4' energy: -100.760 flat angles P-C4'-P energy: -80.390 tors. eta vs tors. theta energy: -110.670 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: 149 Temperature: 1.150000 Total energy: -1473.400946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.400946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.400946 (E_RNA) where: Base-Base interactions energy: -937.635 where: short stacking energy: -462.448 Base-Backbone interact. energy: -2.665 local terms energy: -533.100620 where: bonds (distance) C4'-P energy: -100.788 bonds (distance) P-C4' energy: -112.824 flat angles C4'-P-C4' energy: -113.677 flat angles P-C4'-P energy: -63.945 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: 2 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1371.021713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.021713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.021713 (E_RNA) where: Base-Base interactions energy: -865.471 where: short stacking energy: -401.428 Base-Backbone interact. energy: -0.882 local terms energy: -504.669056 where: bonds (distance) C4'-P energy: -86.908 bonds (distance) P-C4' energy: -104.025 flat angles C4'-P-C4' energy: -115.953 flat angles P-C4'-P energy: -87.179 tors. eta vs tors. theta energy: -110.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -711.302985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.302985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.302985 (E_RNA) where: Base-Base interactions energy: -333.275 where: short stacking energy: -219.183 Base-Backbone interact. energy: -1.467 local terms energy: -376.561200 where: bonds (distance) C4'-P energy: -96.287 bonds (distance) P-C4' energy: -103.613 flat angles C4'-P-C4' energy: -97.302 flat angles P-C4'-P energy: -58.526 tors. eta vs tors. theta energy: -20.833 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: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -572.205731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.205731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.205731 (E_RNA) where: Base-Base interactions energy: -223.124 where: short stacking energy: -176.556 Base-Backbone interact. energy: -1.190 local terms energy: -347.892264 where: bonds (distance) C4'-P energy: -90.543 bonds (distance) P-C4' energy: -104.071 flat angles C4'-P-C4' energy: -95.598 flat angles P-C4'-P energy: -60.693 tors. eta vs tors. theta energy: 3.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -468.926421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.926421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.926421 (E_RNA) where: Base-Base interactions energy: -160.768 where: short stacking energy: -122.941 Base-Backbone interact. energy: -3.273 local terms energy: -304.885762 where: bonds (distance) C4'-P energy: -106.783 bonds (distance) P-C4' energy: -98.486 flat angles C4'-P-C4' energy: -82.792 flat angles P-C4'-P energy: -38.562 tors. eta vs tors. theta energy: 21.738 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: 150 Temperature: 0.900000 Total energy: -2024.112560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.112560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.112560 (E_RNA) where: Base-Base interactions energy: -1378.206 where: short stacking energy: -574.747 Base-Backbone interact. energy: -2.462 local terms energy: -643.443933 where: bonds (distance) C4'-P energy: -133.385 bonds (distance) P-C4' energy: -120.826 flat angles C4'-P-C4' energy: -133.946 flat angles P-C4'-P energy: -87.331 tors. eta vs tors. theta energy: -167.956 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: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2002.092455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.092455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.092455 (E_RNA) where: Base-Base interactions energy: -1375.466 where: short stacking energy: -582.986 Base-Backbone interact. energy: -2.958 local terms energy: -623.667664 where: bonds (distance) C4'-P energy: -108.083 bonds (distance) P-C4' energy: -113.719 flat angles C4'-P-C4' energy: -138.341 flat angles P-C4'-P energy: -78.156 tors. eta vs tors. theta energy: -185.369 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: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1892.466141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.466141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.466141 (E_RNA) where: Base-Base interactions energy: -1282.280 where: short stacking energy: -538.501 Base-Backbone interact. energy: -1.852 local terms energy: -608.333842 where: bonds (distance) C4'-P energy: -112.416 bonds (distance) P-C4' energy: -116.585 flat angles C4'-P-C4' energy: -129.709 flat angles P-C4'-P energy: -88.251 tors. eta vs tors. theta energy: -161.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1798.536849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.536849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.536849 (E_RNA) where: Base-Base interactions energy: -1219.523 where: short stacking energy: -516.990 Base-Backbone interact. energy: 0.025 local terms energy: -579.038114 where: bonds (distance) C4'-P energy: -107.591 bonds (distance) P-C4' energy: -110.873 flat angles C4'-P-C4' energy: -129.761 flat angles P-C4'-P energy: -85.780 tors. eta vs tors. theta energy: -145.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1658.174702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.174702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.174702 (E_RNA) where: Base-Base interactions energy: -1127.960 where: short stacking energy: -470.411 Base-Backbone interact. energy: -1.442 local terms energy: -528.773150 where: bonds (distance) C4'-P energy: -103.141 bonds (distance) P-C4' energy: -107.127 flat angles C4'-P-C4' energy: -115.086 flat angles P-C4'-P energy: -78.389 tors. eta vs tors. theta energy: -125.030 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: 4 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1554.529027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.529027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.529027 (E_RNA) where: Base-Base interactions energy: -1011.471 where: short stacking energy: -435.130 Base-Backbone interact. energy: -4.091 local terms energy: -538.967692 where: bonds (distance) C4'-P energy: -110.339 bonds (distance) P-C4' energy: -122.382 flat angles C4'-P-C4' energy: -125.296 flat angles P-C4'-P energy: -75.792 tors. eta vs tors. theta energy: -105.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1350.459440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.459440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.459440 (E_RNA) where: Base-Base interactions energy: -867.283 where: short stacking energy: -380.313 Base-Backbone interact. energy: 0.776 local terms energy: -483.951823 where: bonds (distance) C4'-P energy: -99.973 bonds (distance) P-C4' energy: -110.530 flat angles C4'-P-C4' energy: -109.135 flat angles P-C4'-P energy: -64.679 tors. eta vs tors. theta energy: -99.635 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: 8 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -655.403833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.403833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.403833 (E_RNA) where: Base-Base interactions energy: -319.918 where: short stacking energy: -190.633 Base-Backbone interact. energy: -1.333 local terms energy: -334.153154 where: bonds (distance) C4'-P energy: -97.177 bonds (distance) P-C4' energy: -114.690 flat angles C4'-P-C4' energy: -77.761 flat angles P-C4'-P energy: -46.159 tors. eta vs tors. theta energy: 1.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -535.387171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.387171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.387171 (E_RNA) where: Base-Base interactions energy: -189.924 where: short stacking energy: -126.790 Base-Backbone interact. energy: -2.246 local terms energy: -343.217000 where: bonds (distance) C4'-P energy: -104.369 bonds (distance) P-C4' energy: -103.093 flat angles C4'-P-C4' energy: -90.833 flat angles P-C4'-P energy: -58.418 tors. eta vs tors. theta energy: 13.496 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: 10, replica: 6 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -468.281548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.281548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.281548 (E_RNA) where: Base-Base interactions energy: -156.200 where: short stacking energy: -123.381 Base-Backbone interact. energy: -2.219 local terms energy: -309.862479 where: bonds (distance) C4'-P energy: -90.505 bonds (distance) P-C4' energy: -96.963 flat angles C4'-P-C4' energy: -106.153 flat angles P-C4'-P energy: -49.986 tors. eta vs tors. theta energy: 33.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2032.410405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.410405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.410405 (E_RNA) where: Base-Base interactions energy: -1384.792 where: short stacking energy: -581.098 Base-Backbone interact. energy: 0.461 local terms energy: -648.079675 where: bonds (distance) C4'-P energy: -118.130 bonds (distance) P-C4' energy: -121.235 flat angles C4'-P-C4' energy: -142.616 flat angles P-C4'-P energy: -91.017 tors. eta vs tors. theta energy: -175.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2005.644932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.644932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.644932 (E_RNA) where: Base-Base interactions energy: -1354.772 where: short stacking energy: -560.912 Base-Backbone interact. energy: -2.550 local terms energy: -648.323143 where: bonds (distance) C4'-P energy: -125.554 bonds (distance) P-C4' energy: -121.049 flat angles C4'-P-C4' energy: -134.439 flat angles P-C4'-P energy: -90.014 tors. eta vs tors. theta energy: -177.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1925.350982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.350982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.350982 (E_RNA) where: Base-Base interactions energy: -1323.042 where: short stacking energy: -560.736 Base-Backbone interact. energy: 2.276 local terms energy: -604.585596 where: bonds (distance) C4'-P energy: -117.274 bonds (distance) P-C4' energy: -102.672 flat angles C4'-P-C4' energy: -130.886 flat angles P-C4'-P energy: -85.982 tors. eta vs tors. theta energy: -167.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1810.930702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.930702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.930702 (E_RNA) where: Base-Base interactions energy: -1243.753 where: short stacking energy: -504.641 Base-Backbone interact. energy: -0.983 local terms energy: -566.194222 where: bonds (distance) C4'-P energy: -111.411 bonds (distance) P-C4' energy: -115.463 flat angles C4'-P-C4' energy: -108.588 flat angles P-C4'-P energy: -75.173 tors. eta vs tors. theta energy: -155.560 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: 1 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1611.850124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.850124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.850124 (E_RNA) where: Base-Base interactions energy: -1068.849 where: short stacking energy: -449.202 Base-Backbone interact. energy: -0.223 local terms energy: -542.778832 where: bonds (distance) C4'-P energy: -97.962 bonds (distance) P-C4' energy: -111.994 flat angles C4'-P-C4' energy: -130.727 flat angles P-C4'-P energy: -73.936 tors. eta vs tors. theta energy: -128.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1507.732124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.732124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.732124 (E_RNA) where: Base-Base interactions energy: -982.418 where: short stacking energy: -409.868 Base-Backbone interact. energy: -1.375 local terms energy: -523.939269 where: bonds (distance) C4'-P energy: -120.240 bonds (distance) P-C4' energy: -101.380 flat angles C4'-P-C4' energy: -125.609 flat angles P-C4'-P energy: -63.746 tors. eta vs tors. theta energy: -112.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1351.988412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.988412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.988412 (E_RNA) where: Base-Base interactions energy: -883.378 where: short stacking energy: -422.328 Base-Backbone interact. energy: 0.146 local terms energy: -468.756909 where: bonds (distance) C4'-P energy: -90.225 bonds (distance) P-C4' energy: -99.094 flat angles C4'-P-C4' energy: -110.139 flat angles P-C4'-P energy: -52.148 tors. eta vs tors. theta energy: -117.151 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: 8 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -689.216819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.216819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.216819 (E_RNA) where: Base-Base interactions energy: -364.367 where: short stacking energy: -194.757 Base-Backbone interact. energy: 0.183 local terms energy: -325.032900 where: bonds (distance) C4'-P energy: -97.539 bonds (distance) P-C4' energy: -93.768 flat angles C4'-P-C4' energy: -89.235 flat angles P-C4'-P energy: -51.238 tors. eta vs tors. theta energy: 6.748 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: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -538.418323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.418323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.418323 (E_RNA) where: Base-Base interactions energy: -190.661 where: short stacking energy: -153.606 Base-Backbone interact. energy: -0.526 local terms energy: -347.231326 where: bonds (distance) C4'-P energy: -94.715 bonds (distance) P-C4' energy: -124.673 flat angles C4'-P-C4' energy: -96.466 flat angles P-C4'-P energy: -60.197 tors. eta vs tors. theta energy: 28.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -495.331574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.331574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.331574 (E_RNA) where: Base-Base interactions energy: -195.197 where: short stacking energy: -149.328 Base-Backbone interact. energy: 3.649 local terms energy: -303.784294 where: bonds (distance) C4'-P energy: -96.085 bonds (distance) P-C4' energy: -95.688 flat angles C4'-P-C4' energy: -90.021 flat angles P-C4'-P energy: -35.712 tors. eta vs tors. theta energy: 13.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2002.580832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.580832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.580832 (E_RNA) where: Base-Base interactions energy: -1360.817 where: short stacking energy: -568.333 Base-Backbone interact. energy: -2.030 local terms energy: -639.734209 where: bonds (distance) C4'-P energy: -121.313 bonds (distance) P-C4' energy: -114.782 flat angles C4'-P-C4' energy: -135.022 flat angles P-C4'-P energy: -94.169 tors. eta vs tors. theta energy: -174.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2000.548817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.548817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.548817 (E_RNA) where: Base-Base interactions energy: -1350.616 where: short stacking energy: -580.588 Base-Backbone interact. energy: -2.862 local terms energy: -647.070688 where: bonds (distance) C4'-P energy: -119.081 bonds (distance) P-C4' energy: -123.213 flat angles C4'-P-C4' energy: -139.491 flat angles P-C4'-P energy: -85.372 tors. eta vs tors. theta energy: -179.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1882.978908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.978908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.978908 (E_RNA) where: Base-Base interactions energy: -1273.005 where: short stacking energy: -545.733 Base-Backbone interact. energy: -1.564 local terms energy: -608.409374 where: bonds (distance) C4'-P energy: -104.356 bonds (distance) P-C4' energy: -125.620 flat angles C4'-P-C4' energy: -133.105 flat angles P-C4'-P energy: -80.897 tors. eta vs tors. theta energy: -164.432 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: 10 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1762.590833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.590833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.590833 (E_RNA) where: Base-Base interactions energy: -1191.624 where: short stacking energy: -496.061 Base-Backbone interact. energy: -0.095 local terms energy: -570.871731 where: bonds (distance) C4'-P energy: -123.068 bonds (distance) P-C4' energy: -98.723 flat angles C4'-P-C4' energy: -127.575 flat angles P-C4'-P energy: -82.918 tors. eta vs tors. theta energy: -138.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1707.624599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.624599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.624599 (E_RNA) where: Base-Base interactions energy: -1132.429 where: short stacking energy: -499.925 Base-Backbone interact. energy: -1.204 local terms energy: -573.991397 where: bonds (distance) C4'-P energy: -114.039 bonds (distance) P-C4' energy: -102.977 flat angles C4'-P-C4' energy: -121.781 flat angles P-C4'-P energy: -85.731 tors. eta vs tors. theta energy: -149.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1552.094972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.094972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.094972 (E_RNA) where: Base-Base interactions energy: -996.553 where: short stacking energy: -439.864 Base-Backbone interact. energy: -1.310 local terms energy: -554.232329 where: bonds (distance) C4'-P energy: -103.361 bonds (distance) P-C4' energy: -118.956 flat angles C4'-P-C4' energy: -131.165 flat angles P-C4'-P energy: -81.200 tors. eta vs tors. theta energy: -119.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1373.374570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.374570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.374570 (E_RNA) where: Base-Base interactions energy: -863.967 where: short stacking energy: -376.361 Base-Backbone interact. energy: 3.400 local terms energy: -512.807360 where: bonds (distance) C4'-P energy: -109.525 bonds (distance) P-C4' energy: -115.399 flat angles C4'-P-C4' energy: -123.001 flat angles P-C4'-P energy: -75.864 tors. eta vs tors. theta energy: -89.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -673.273765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.273765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.273765 (E_RNA) where: Base-Base interactions energy: -302.559 where: short stacking energy: -183.904 Base-Backbone interact. energy: -3.664 local terms energy: -367.050981 where: bonds (distance) C4'-P energy: -96.244 bonds (distance) P-C4' energy: -119.106 flat angles C4'-P-C4' energy: -98.257 flat angles P-C4'-P energy: -59.435 tors. eta vs tors. theta energy: 5.991 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: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -538.187517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.187517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.187517 (E_RNA) where: Base-Base interactions energy: -210.883 where: short stacking energy: -168.504 Base-Backbone interact. energy: 1.296 local terms energy: -328.600324 where: bonds (distance) C4'-P energy: -88.571 bonds (distance) P-C4' energy: -94.119 flat angles C4'-P-C4' energy: -87.182 flat angles P-C4'-P energy: -57.846 tors. eta vs tors. theta energy: -0.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -479.800143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.800143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.800143 (E_RNA) where: Base-Base interactions energy: -188.990 where: short stacking energy: -147.373 Base-Backbone interact. energy: -0.744 local terms energy: -290.066450 where: bonds (distance) C4'-P energy: -91.353 bonds (distance) P-C4' energy: -91.243 flat angles C4'-P-C4' energy: -79.725 flat angles P-C4'-P energy: -46.651 tors. eta vs tors. theta energy: 18.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2018.887497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.887497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.887497 (E_RNA) where: Base-Base interactions energy: -1388.370 where: short stacking energy: -578.591 Base-Backbone interact. energy: -0.595 local terms energy: -629.921700 where: bonds (distance) C4'-P energy: -110.603 bonds (distance) P-C4' energy: -112.777 flat angles C4'-P-C4' energy: -134.020 flat angles P-C4'-P energy: -93.987 tors. eta vs tors. theta energy: -178.535 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: 2, replica: 7 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2003.590950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.590950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.590950 (E_RNA) where: Base-Base interactions energy: -1370.192 where: short stacking energy: -604.308 Base-Backbone interact. energy: -3.449 local terms energy: -629.950069 where: bonds (distance) C4'-P energy: -113.344 bonds (distance) P-C4' energy: -114.039 flat angles C4'-P-C4' energy: -132.381 flat angles P-C4'-P energy: -82.415 tors. eta vs tors. theta energy: -187.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1910.654504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.654504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.654504 (E_RNA) where: Base-Base interactions energy: -1274.230 where: short stacking energy: -537.332 Base-Backbone interact. energy: -1.580 local terms energy: -634.843877 where: bonds (distance) C4'-P energy: -112.577 bonds (distance) P-C4' energy: -128.356 flat angles C4'-P-C4' energy: -137.593 flat angles P-C4'-P energy: -91.998 tors. eta vs tors. theta energy: -164.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1782.906619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.906619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.906619 (E_RNA) where: Base-Base interactions energy: -1202.791 where: short stacking energy: -494.898 Base-Backbone interact. energy: -2.939 local terms energy: -577.176304 where: bonds (distance) C4'-P energy: -100.007 bonds (distance) P-C4' energy: -117.819 flat angles C4'-P-C4' energy: -131.515 flat angles P-C4'-P energy: -88.219 tors. eta vs tors. theta energy: -139.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1670.540932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.540932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.540932 (E_RNA) where: Base-Base interactions energy: -1150.005 where: short stacking energy: -464.513 Base-Backbone interact. energy: -1.300 local terms energy: -519.235849 where: bonds (distance) C4'-P energy: -107.476 bonds (distance) P-C4' energy: -94.975 flat angles C4'-P-C4' energy: -107.374 flat angles P-C4'-P energy: -85.151 tors. eta vs tors. theta energy: -124.260 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: 4 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1580.043104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.043104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.043104 (E_RNA) where: Base-Base interactions energy: -1036.352 where: short stacking energy: -474.165 Base-Backbone interact. energy: -2.027 local terms energy: -541.664463 where: bonds (distance) C4'-P energy: -100.232 bonds (distance) P-C4' energy: -107.439 flat angles C4'-P-C4' energy: -116.902 flat angles P-C4'-P energy: -74.824 tors. eta vs tors. theta energy: -142.267 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: 2 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1332.548379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.548379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.548379 (E_RNA) where: Base-Base interactions energy: -846.516 where: short stacking energy: -409.302 Base-Backbone interact. energy: 2.077 local terms energy: -488.108696 where: bonds (distance) C4'-P energy: -102.487 bonds (distance) P-C4' energy: -108.381 flat angles C4'-P-C4' energy: -115.249 flat angles P-C4'-P energy: -58.082 tors. eta vs tors. theta energy: -103.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -590.521336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.521336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.521336 (E_RNA) where: Base-Base interactions energy: -250.455 where: short stacking energy: -192.255 Base-Backbone interact. energy: 2.900 local terms energy: -342.966022 where: bonds (distance) C4'-P energy: -96.355 bonds (distance) P-C4' energy: -107.504 flat angles C4'-P-C4' energy: -88.562 flat angles P-C4'-P energy: -52.704 tors. eta vs tors. theta energy: 2.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -557.921433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.921433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.921433 (E_RNA) where: Base-Base interactions energy: -261.704 where: short stacking energy: -143.330 Base-Backbone interact. energy: 2.201 local terms energy: -298.418567 where: bonds (distance) C4'-P energy: -96.727 bonds (distance) P-C4' energy: -97.774 flat angles C4'-P-C4' energy: -67.530 flat angles P-C4'-P energy: -64.727 tors. eta vs tors. theta energy: 28.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -467.879426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.879426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.879426 (E_RNA) where: Base-Base interactions energy: -180.973 where: short stacking energy: -118.791 Base-Backbone interact. energy: -1.490 local terms energy: -285.415915 where: bonds (distance) C4'-P energy: -105.160 bonds (distance) P-C4' energy: -99.004 flat angles C4'-P-C4' energy: -55.057 flat angles P-C4'-P energy: -50.935 tors. eta vs tors. theta energy: 24.740 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: 154 Temperature: 0.900000 Total energy: -2035.687332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.687332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.687332 (E_RNA) where: Base-Base interactions energy: -1373.964 where: short stacking energy: -570.815 Base-Backbone interact. energy: -2.250 local terms energy: -659.472684 where: bonds (distance) C4'-P energy: -124.297 bonds (distance) P-C4' energy: -121.758 flat angles C4'-P-C4' energy: -144.867 flat angles P-C4'-P energy: -94.487 tors. eta vs tors. theta energy: -174.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2003.477317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.477317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.477317 (E_RNA) where: Base-Base interactions energy: -1382.897 where: short stacking energy: -567.497 Base-Backbone interact. energy: -4.087 local terms energy: -616.493128 where: bonds (distance) C4'-P energy: -105.652 bonds (distance) P-C4' energy: -108.525 flat angles C4'-P-C4' energy: -133.391 flat angles P-C4'-P energy: -100.018 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: 3, replica: 3 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1887.420132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.420132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.420132 (E_RNA) where: Base-Base interactions energy: -1295.533 where: short stacking energy: -536.400 Base-Backbone interact. energy: 0.454 local terms energy: -592.341457 where: bonds (distance) C4'-P energy: -108.269 bonds (distance) P-C4' energy: -122.426 flat angles C4'-P-C4' energy: -114.804 flat angles P-C4'-P energy: -80.364 tors. eta vs tors. theta energy: -166.478 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: 10 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1776.297662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.297662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.297662 (E_RNA) where: Base-Base interactions energy: -1208.501 where: short stacking energy: -489.699 Base-Backbone interact. energy: 1.687 local terms energy: -569.484238 where: bonds (distance) C4'-P energy: -97.534 bonds (distance) P-C4' energy: -106.446 flat angles C4'-P-C4' energy: -139.263 flat angles P-C4'-P energy: -76.603 tors. eta vs tors. theta energy: -149.638 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: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1619.609833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.609833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.609833 (E_RNA) where: Base-Base interactions energy: -1063.293 where: short stacking energy: -467.424 Base-Backbone interact. energy: 1.858 local terms energy: -558.175586 where: bonds (distance) C4'-P energy: -105.269 bonds (distance) P-C4' energy: -107.037 flat angles C4'-P-C4' energy: -122.984 flat angles P-C4'-P energy: -89.608 tors. eta vs tors. theta energy: -133.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1607.899727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.899727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.899727 (E_RNA) where: Base-Base interactions energy: -1065.750 where: short stacking energy: -458.667 Base-Backbone interact. energy: -1.683 local terms energy: -540.467552 where: bonds (distance) C4'-P energy: -104.390 bonds (distance) P-C4' energy: -106.176 flat angles C4'-P-C4' energy: -126.524 flat angles P-C4'-P energy: -82.501 tors. eta vs tors. theta energy: -120.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1302.803635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.803635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.803635 (E_RNA) where: Base-Base interactions energy: -814.182 where: short stacking energy: -364.839 Base-Backbone interact. energy: -1.830 local terms energy: -486.791624 where: bonds (distance) C4'-P energy: -92.171 bonds (distance) P-C4' energy: -121.611 flat angles C4'-P-C4' energy: -109.059 flat angles P-C4'-P energy: -60.050 tors. eta vs tors. theta energy: -103.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -574.538984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.538984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.538984 (E_RNA) where: Base-Base interactions energy: -226.569 where: short stacking energy: -165.618 Base-Backbone interact. energy: -0.184 local terms energy: -347.786104 where: bonds (distance) C4'-P energy: -99.010 bonds (distance) P-C4' energy: -121.589 flat angles C4'-P-C4' energy: -66.360 flat angles P-C4'-P energy: -51.270 tors. eta vs tors. theta energy: -9.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -557.591059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.591059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.591059 (E_RNA) where: Base-Base interactions energy: -211.557 where: short stacking energy: -134.787 Base-Backbone interact. energy: -0.590 local terms energy: -345.444028 where: bonds (distance) C4'-P energy: -96.706 bonds (distance) P-C4' energy: -92.542 flat angles C4'-P-C4' energy: -111.665 flat angles P-C4'-P energy: -50.376 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: 10, replica: 6 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -520.771735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.771735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.771735 (E_RNA) where: Base-Base interactions energy: -220.842 where: short stacking energy: -135.743 Base-Backbone interact. energy: 6.914 local terms energy: -306.844065 where: bonds (distance) C4'-P energy: -97.337 bonds (distance) P-C4' energy: -103.829 flat angles C4'-P-C4' energy: -86.111 flat angles P-C4'-P energy: -36.463 tors. eta vs tors. theta energy: 16.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2050.280547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.280547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.280547 (E_RNA) where: Base-Base interactions energy: -1380.230 where: short stacking energy: -592.253 Base-Backbone interact. energy: -3.260 local terms energy: -666.790359 where: bonds (distance) C4'-P energy: -113.131 bonds (distance) P-C4' energy: -125.159 flat angles C4'-P-C4' energy: -140.582 flat angles P-C4'-P energy: -97.390 tors. eta vs tors. theta energy: -190.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1976.849810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.849810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.849810 (E_RNA) where: Base-Base interactions energy: -1311.050 where: short stacking energy: -560.547 Base-Backbone interact. energy: -2.535 local terms energy: -663.264192 where: bonds (distance) C4'-P energy: -119.441 bonds (distance) P-C4' energy: -124.392 flat angles C4'-P-C4' energy: -139.802 flat angles P-C4'-P energy: -97.075 tors. eta vs tors. theta energy: -182.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1930.153462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.153462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.153462 (E_RNA) where: Base-Base interactions energy: -1313.386 where: short stacking energy: -554.062 Base-Backbone interact. energy: 2.636 local terms energy: -619.403278 where: bonds (distance) C4'-P energy: -116.357 bonds (distance) P-C4' energy: -125.610 flat angles C4'-P-C4' energy: -131.130 flat angles P-C4'-P energy: -89.816 tors. eta vs tors. theta energy: -156.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1749.452676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.452676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.452676 (E_RNA) where: Base-Base interactions energy: -1169.099 where: short stacking energy: -498.979 Base-Backbone interact. energy: 2.834 local terms energy: -583.187539 where: bonds (distance) C4'-P energy: -111.682 bonds (distance) P-C4' energy: -114.949 flat angles C4'-P-C4' energy: -131.376 flat angles P-C4'-P energy: -78.285 tors. eta vs tors. theta energy: -146.896 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: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1591.769209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.769209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.769209 (E_RNA) where: Base-Base interactions energy: -1046.760 where: short stacking energy: -476.789 Base-Backbone interact. energy: 2.317 local terms energy: -547.326285 where: bonds (distance) C4'-P energy: -117.306 bonds (distance) P-C4' energy: -112.428 flat angles C4'-P-C4' energy: -117.641 flat angles P-C4'-P energy: -72.925 tors. eta vs tors. theta energy: -127.026 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: 1 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1603.401003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.401003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.401003 (E_RNA) where: Base-Base interactions energy: -1071.015 where: short stacking energy: -443.604 Base-Backbone interact. energy: 1.074 local terms energy: -533.459471 where: bonds (distance) C4'-P energy: -111.680 bonds (distance) P-C4' energy: -99.597 flat angles C4'-P-C4' energy: -130.199 flat angles P-C4'-P energy: -58.118 tors. eta vs tors. theta energy: -133.866 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: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1334.648725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.648725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.648725 (E_RNA) where: Base-Base interactions energy: -829.672 where: short stacking energy: -368.794 Base-Backbone interact. energy: -1.310 local terms energy: -503.666509 where: bonds (distance) C4'-P energy: -111.460 bonds (distance) P-C4' energy: -117.747 flat angles C4'-P-C4' energy: -120.702 flat angles P-C4'-P energy: -67.331 tors. eta vs tors. theta energy: -86.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -537.317186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.317186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.317186 (E_RNA) where: Base-Base interactions energy: -194.768 where: short stacking energy: -157.305 Base-Backbone interact. energy: 0.612 local terms energy: -343.161116 where: bonds (distance) C4'-P energy: -91.233 bonds (distance) P-C4' energy: -116.090 flat angles C4'-P-C4' energy: -83.165 flat angles P-C4'-P energy: -62.807 tors. eta vs tors. theta energy: 10.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -590.186661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.186661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.186661 (E_RNA) where: Base-Base interactions energy: -270.187 where: short stacking energy: -158.877 Base-Backbone interact. energy: -0.276 local terms energy: -319.723777 where: bonds (distance) C4'-P energy: -105.700 bonds (distance) P-C4' energy: -89.706 flat angles C4'-P-C4' energy: -87.315 flat angles P-C4'-P energy: -60.356 tors. eta vs tors. theta energy: 23.353 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: 10, replica: 6 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -575.714542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.714542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.714542 (E_RNA) where: Base-Base interactions energy: -255.482 where: short stacking energy: -159.143 Base-Backbone interact. energy: 2.441 local terms energy: -322.673083 where: bonds (distance) C4'-P energy: -78.177 bonds (distance) P-C4' energy: -97.761 flat angles C4'-P-C4' energy: -101.783 flat angles P-C4'-P energy: -48.719 tors. eta vs tors. theta energy: 3.766 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: 5 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2031.984728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.984728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.984728 (E_RNA) where: Base-Base interactions energy: -1381.833 where: short stacking energy: -574.016 Base-Backbone interact. energy: -1.388 local terms energy: -648.763271 where: bonds (distance) C4'-P energy: -113.710 bonds (distance) P-C4' energy: -120.910 flat angles C4'-P-C4' energy: -143.254 flat angles P-C4'-P energy: -97.037 tors. eta vs tors. theta energy: -173.852 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: 3 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1954.185230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.185230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.185230 (E_RNA) where: Base-Base interactions energy: -1325.463 where: short stacking energy: -560.263 Base-Backbone interact. energy: -2.746 local terms energy: -625.976369 where: bonds (distance) C4'-P energy: -120.510 bonds (distance) P-C4' energy: -122.367 flat angles C4'-P-C4' energy: -129.922 flat angles P-C4'-P energy: -80.267 tors. eta vs tors. theta energy: -172.910 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: 3, replica: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1909.328973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.328973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.328973 (E_RNA) where: Base-Base interactions energy: -1334.134 where: short stacking energy: -540.828 Base-Backbone interact. energy: 1.121 local terms energy: -576.315801 where: bonds (distance) C4'-P energy: -114.500 bonds (distance) P-C4' energy: -105.982 flat angles C4'-P-C4' energy: -130.137 flat angles P-C4'-P energy: -73.475 tors. eta vs tors. theta energy: -152.223 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: 4, replica: 10 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1788.313338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.313338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.313338 (E_RNA) where: Base-Base interactions energy: -1198.518 where: short stacking energy: -502.706 Base-Backbone interact. energy: 0.573 local terms energy: -590.368541 where: bonds (distance) C4'-P energy: -104.442 bonds (distance) P-C4' energy: -109.600 flat angles C4'-P-C4' energy: -125.554 flat angles P-C4'-P energy: -90.908 tors. eta vs tors. theta energy: -159.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1645.982928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.982928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.982928 (E_RNA) where: Base-Base interactions energy: -1121.632 where: short stacking energy: -465.000 Base-Backbone interact. energy: -1.110 local terms energy: -523.240952 where: bonds (distance) C4'-P energy: -87.275 bonds (distance) P-C4' energy: -102.979 flat angles C4'-P-C4' energy: -131.445 flat angles P-C4'-P energy: -70.598 tors. eta vs tors. theta energy: -130.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1519.298205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.298205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.298205 (E_RNA) where: Base-Base interactions energy: -976.791 where: short stacking energy: -441.001 Base-Backbone interact. energy: 0.298 local terms energy: -542.804542 where: bonds (distance) C4'-P energy: -111.789 bonds (distance) P-C4' energy: -88.959 flat angles C4'-P-C4' energy: -119.468 flat angles P-C4'-P energy: -83.975 tors. eta vs tors. theta energy: -138.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1281.060437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.060437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.060437 (E_RNA) where: Base-Base interactions energy: -816.425 where: short stacking energy: -374.696 Base-Backbone interact. energy: -4.565 local terms energy: -460.070234 where: bonds (distance) C4'-P energy: -89.679 bonds (distance) P-C4' energy: -105.391 flat angles C4'-P-C4' energy: -105.947 flat angles P-C4'-P energy: -67.844 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: 8, replica: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -548.159442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.159442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.159442 (E_RNA) where: Base-Base interactions energy: -221.807 where: short stacking energy: -166.898 Base-Backbone interact. energy: -2.516 local terms energy: -323.836670 where: bonds (distance) C4'-P energy: -85.607 bonds (distance) P-C4' energy: -109.436 flat angles C4'-P-C4' energy: -84.590 flat angles P-C4'-P energy: -52.266 tors. eta vs tors. theta energy: 8.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -583.324641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.324641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.324641 (E_RNA) where: Base-Base interactions energy: -258.769 where: short stacking energy: -152.272 Base-Backbone interact. energy: -1.157 local terms energy: -323.398893 where: bonds (distance) C4'-P energy: -99.929 bonds (distance) P-C4' energy: -101.195 flat angles C4'-P-C4' energy: -87.950 flat angles P-C4'-P energy: -50.298 tors. eta vs tors. theta energy: 15.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -579.417179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.417179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.417179 (E_RNA) where: Base-Base interactions energy: -247.340 where: short stacking energy: -142.687 Base-Backbone interact. energy: -0.386 local terms energy: -331.691122 where: bonds (distance) C4'-P energy: -108.457 bonds (distance) P-C4' energy: -105.946 flat angles C4'-P-C4' energy: -77.184 flat angles P-C4'-P energy: -57.886 tors. eta vs tors. theta energy: 17.781 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: 5 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1987.750416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.750416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.750416 (E_RNA) where: Base-Base interactions energy: -1336.175 where: short stacking energy: -598.186 Base-Backbone interact. energy: -1.979 local terms energy: -649.597002 where: bonds (distance) C4'-P energy: -123.057 bonds (distance) P-C4' energy: -127.284 flat angles C4'-P-C4' energy: -138.609 flat angles P-C4'-P energy: -84.859 tors. eta vs tors. theta energy: -175.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1959.415239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.415239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.415239 (E_RNA) where: Base-Base interactions energy: -1318.673 where: short stacking energy: -553.562 Base-Backbone interact. energy: -2.536 local terms energy: -638.206353 where: bonds (distance) C4'-P energy: -116.085 bonds (distance) P-C4' energy: -138.030 flat angles C4'-P-C4' energy: -130.468 flat angles P-C4'-P energy: -86.375 tors. eta vs tors. theta energy: -167.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1934.598120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.598120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.598120 (E_RNA) where: Base-Base interactions energy: -1317.787 where: short stacking energy: -556.825 Base-Backbone interact. energy: -2.041 local terms energy: -614.769823 where: bonds (distance) C4'-P energy: -128.268 bonds (distance) P-C4' energy: -115.008 flat angles C4'-P-C4' energy: -126.699 flat angles P-C4'-P energy: -78.190 tors. eta vs tors. theta energy: -166.605 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: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1761.957984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.957984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.957984 (E_RNA) where: Base-Base interactions energy: -1172.868 where: short stacking energy: -498.715 Base-Backbone interact. energy: -1.775 local terms energy: -587.314047 where: bonds (distance) C4'-P energy: -111.879 bonds (distance) P-C4' energy: -116.005 flat angles C4'-P-C4' energy: -129.271 flat angles P-C4'-P energy: -86.475 tors. eta vs tors. theta energy: -143.685 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: 1 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1700.231849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.231849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.231849 (E_RNA) where: Base-Base interactions energy: -1141.351 where: short stacking energy: -460.271 Base-Backbone interact. energy: 0.810 local terms energy: -559.690884 where: bonds (distance) C4'-P energy: -115.527 bonds (distance) P-C4' energy: -117.557 flat angles C4'-P-C4' energy: -120.301 flat angles P-C4'-P energy: -68.194 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: 6, replica: 4 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1520.068140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.068140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.068140 (E_RNA) where: Base-Base interactions energy: -997.484 where: short stacking energy: -444.924 Base-Backbone interact. energy: -4.948 local terms energy: -517.636024 where: bonds (distance) C4'-P energy: -107.719 bonds (distance) P-C4' energy: -110.708 flat angles C4'-P-C4' energy: -120.345 flat angles P-C4'-P energy: -64.585 tors. eta vs tors. theta energy: -114.280 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: 2 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1300.122810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.122810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.122810 (E_RNA) where: Base-Base interactions energy: -811.447 where: short stacking energy: -362.230 Base-Backbone interact. energy: -0.317 local terms energy: -488.358882 where: bonds (distance) C4'-P energy: -102.424 bonds (distance) P-C4' energy: -109.733 flat angles C4'-P-C4' energy: -123.415 flat angles P-C4'-P energy: -70.893 tors. eta vs tors. theta energy: -81.894 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: 9 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -603.608266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.608266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.608266 (E_RNA) where: Base-Base interactions energy: -266.243 where: short stacking energy: -188.923 Base-Backbone interact. energy: 2.702 local terms energy: -340.067061 where: bonds (distance) C4'-P energy: -96.508 bonds (distance) P-C4' energy: -107.107 flat angles C4'-P-C4' energy: -63.683 flat angles P-C4'-P energy: -71.167 tors. eta vs tors. theta energy: -1.602 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: 9, replica: 8 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -607.576485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.576485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.576485 (E_RNA) where: Base-Base interactions energy: -264.565 where: short stacking energy: -169.063 Base-Backbone interact. energy: -2.350 local terms energy: -340.661682 where: bonds (distance) C4'-P energy: -97.387 bonds (distance) P-C4' energy: -105.022 flat angles C4'-P-C4' energy: -102.139 flat angles P-C4'-P energy: -55.904 tors. eta vs tors. theta energy: 19.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -623.599803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.599803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.599803 (E_RNA) where: Base-Base interactions energy: -334.411 where: short stacking energy: -179.732 Base-Backbone interact. energy: -0.391 local terms energy: -288.797710 where: bonds (distance) C4'-P energy: -82.724 bonds (distance) P-C4' energy: -105.249 flat angles C4'-P-C4' energy: -80.860 flat angles P-C4'-P energy: -40.566 tors. eta vs tors. theta energy: 20.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2027.376599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.376599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.376599 (E_RNA) where: Base-Base interactions energy: -1367.730 where: short stacking energy: -568.394 Base-Backbone interact. energy: -3.060 local terms energy: -656.586999 where: bonds (distance) C4'-P energy: -116.089 bonds (distance) P-C4' energy: -132.527 flat angles C4'-P-C4' energy: -142.191 flat angles P-C4'-P energy: -89.445 tors. eta vs tors. theta energy: -176.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1965.647480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.647480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.647480 (E_RNA) where: Base-Base interactions energy: -1325.069 where: short stacking energy: -551.421 Base-Backbone interact. energy: 0.935 local terms energy: -641.513396 where: bonds (distance) C4'-P energy: -115.449 bonds (distance) P-C4' energy: -117.321 flat angles C4'-P-C4' energy: -137.598 flat angles P-C4'-P energy: -94.983 tors. eta vs tors. theta energy: -176.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1946.489143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.489143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.489143 (E_RNA) where: Base-Base interactions energy: -1329.448 where: short stacking energy: -561.940 Base-Backbone interact. energy: -2.610 local terms energy: -614.430746 where: bonds (distance) C4'-P energy: -121.561 bonds (distance) P-C4' energy: -119.640 flat angles C4'-P-C4' energy: -125.362 flat angles P-C4'-P energy: -89.628 tors. eta vs tors. theta energy: -158.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1789.630034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.630034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.630034 (E_RNA) where: Base-Base interactions energy: -1193.047 where: short stacking energy: -517.491 Base-Backbone interact. energy: -4.896 local terms energy: -591.687835 where: bonds (distance) C4'-P energy: -104.590 bonds (distance) P-C4' energy: -118.276 flat angles C4'-P-C4' energy: -127.598 flat angles P-C4'-P energy: -81.898 tors. eta vs tors. theta energy: -159.325 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: 1 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1717.022916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.022916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.022916 (E_RNA) where: Base-Base interactions energy: -1138.163 where: short stacking energy: -507.292 Base-Backbone interact. energy: -1.292 local terms energy: -577.568468 where: bonds (distance) C4'-P energy: -98.532 bonds (distance) P-C4' energy: -111.134 flat angles C4'-P-C4' energy: -127.463 flat angles P-C4'-P energy: -83.988 tors. eta vs tors. theta energy: -156.452 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: 6, replica: 4 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1601.970134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.970134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.970134 (E_RNA) where: Base-Base interactions energy: -1072.665 where: short stacking energy: -467.235 Base-Backbone interact. energy: -1.901 local terms energy: -527.404149 where: bonds (distance) C4'-P energy: -97.778 bonds (distance) P-C4' energy: -107.986 flat angles C4'-P-C4' energy: -131.187 flat angles P-C4'-P energy: -68.047 tors. eta vs tors. theta energy: -122.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1291.849335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.849335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.849335 (E_RNA) where: Base-Base interactions energy: -802.842 where: short stacking energy: -370.004 Base-Backbone interact. energy: -0.108 local terms energy: -488.899007 where: bonds (distance) C4'-P energy: -99.035 bonds (distance) P-C4' energy: -113.492 flat angles C4'-P-C4' energy: -117.421 flat angles P-C4'-P energy: -70.279 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: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -630.656256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.656256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.656256 (E_RNA) where: Base-Base interactions energy: -277.198 where: short stacking energy: -185.447 Base-Backbone interact. energy: -1.552 local terms energy: -351.906171 where: bonds (distance) C4'-P energy: -83.800 bonds (distance) P-C4' energy: -107.378 flat angles C4'-P-C4' energy: -103.563 flat angles P-C4'-P energy: -58.771 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: 9, replica: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -620.793224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.793224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.793224 (E_RNA) where: Base-Base interactions energy: -294.899 where: short stacking energy: -171.169 Base-Backbone interact. energy: 0.586 local terms energy: -326.480018 where: bonds (distance) C4'-P energy: -82.689 bonds (distance) P-C4' energy: -94.604 flat angles C4'-P-C4' energy: -97.374 flat angles P-C4'-P energy: -59.432 tors. eta vs tors. theta energy: 7.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -608.382359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.382359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.382359 (E_RNA) where: Base-Base interactions energy: -295.178 where: short stacking energy: -160.877 Base-Backbone interact. energy: -1.518 local terms energy: -311.686099 where: bonds (distance) C4'-P energy: -90.180 bonds (distance) P-C4' energy: -102.951 flat angles C4'-P-C4' energy: -89.488 flat angles P-C4'-P energy: -43.700 tors. eta vs tors. theta energy: 14.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2029.499480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.499480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.499480 (E_RNA) where: Base-Base interactions energy: -1370.898 where: short stacking energy: -581.631 Base-Backbone interact. energy: -2.113 local terms energy: -656.488171 where: bonds (distance) C4'-P energy: -113.742 bonds (distance) P-C4' energy: -122.903 flat angles C4'-P-C4' energy: -138.005 flat angles P-C4'-P energy: -103.058 tors. eta vs tors. theta energy: -178.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1959.612786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.612786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.612786 (E_RNA) where: Base-Base interactions energy: -1295.047 where: short stacking energy: -550.500 Base-Backbone interact. energy: -2.138 local terms energy: -662.427205 where: bonds (distance) C4'-P energy: -126.164 bonds (distance) P-C4' energy: -135.206 flat angles C4'-P-C4' energy: -131.179 flat angles P-C4'-P energy: -91.344 tors. eta vs tors. theta energy: -178.534 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: 3, replica: 7 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1929.913345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.913345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.913345 (E_RNA) where: Base-Base interactions energy: -1342.110 where: short stacking energy: -528.084 Base-Backbone interact. energy: 3.025 local terms energy: -590.828374 where: bonds (distance) C4'-P energy: -115.903 bonds (distance) P-C4' energy: -110.299 flat angles C4'-P-C4' energy: -131.624 flat angles P-C4'-P energy: -84.814 tors. eta vs tors. theta energy: -148.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1747.317557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.317557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.317557 (E_RNA) where: Base-Base interactions energy: -1172.100 where: short stacking energy: -505.125 Base-Backbone interact. energy: 2.232 local terms energy: -577.449342 where: bonds (distance) C4'-P energy: -108.434 bonds (distance) P-C4' energy: -107.129 flat angles C4'-P-C4' energy: -126.225 flat angles P-C4'-P energy: -79.876 tors. eta vs tors. theta energy: -155.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1676.387468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.387468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.387468 (E_RNA) where: Base-Base interactions energy: -1123.322 where: short stacking energy: -475.894 Base-Backbone interact. energy: 0.271 local terms energy: -553.336281 where: bonds (distance) C4'-P energy: -107.904 bonds (distance) P-C4' energy: -105.724 flat angles C4'-P-C4' energy: -117.804 flat angles P-C4'-P energy: -90.536 tors. eta vs tors. theta energy: -131.369 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: 4 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1525.671088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.671088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.671088 (E_RNA) where: Base-Base interactions energy: -1009.492 where: short stacking energy: -430.034 Base-Backbone interact. energy: -0.966 local terms energy: -515.213314 where: bonds (distance) C4'-P energy: -96.431 bonds (distance) P-C4' energy: -112.426 flat angles C4'-P-C4' energy: -103.212 flat angles P-C4'-P energy: -81.737 tors. eta vs tors. theta energy: -121.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1332.779503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.779503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.779503 (E_RNA) where: Base-Base interactions energy: -836.984 where: short stacking energy: -382.363 Base-Backbone interact. energy: -0.664 local terms energy: -495.131639 where: bonds (distance) C4'-P energy: -86.406 bonds (distance) P-C4' energy: -110.739 flat angles C4'-P-C4' energy: -129.343 flat angles P-C4'-P energy: -65.236 tors. eta vs tors. theta energy: -103.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -571.815990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.815990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.815990 (E_RNA) where: Base-Base interactions energy: -213.343 where: short stacking energy: -153.581 Base-Backbone interact. energy: -2.168 local terms energy: -356.305363 where: bonds (distance) C4'-P energy: -114.645 bonds (distance) P-C4' energy: -125.223 flat angles C4'-P-C4' energy: -98.189 flat angles P-C4'-P energy: -46.274 tors. eta vs tors. theta energy: 28.026 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: 8 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -631.412297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.412297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.412297 (E_RNA) where: Base-Base interactions energy: -321.703 where: short stacking energy: -163.664 Base-Backbone interact. energy: -1.737 local terms energy: -307.972317 where: bonds (distance) C4'-P energy: -99.319 bonds (distance) P-C4' energy: -95.857 flat angles C4'-P-C4' energy: -82.607 flat angles P-C4'-P energy: -49.812 tors. eta vs tors. theta energy: 19.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -645.243418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.243418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.243418 (E_RNA) where: Base-Base interactions energy: -318.478 where: short stacking energy: -164.844 Base-Backbone interact. energy: 4.747 local terms energy: -331.511941 where: bonds (distance) C4'-P energy: -98.035 bonds (distance) P-C4' energy: -110.223 flat angles C4'-P-C4' energy: -83.293 flat angles P-C4'-P energy: -44.908 tors. eta vs tors. theta energy: 4.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2043.925316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.925316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.925316 (E_RNA) where: Base-Base interactions energy: -1401.651 where: short stacking energy: -596.627 Base-Backbone interact. energy: -3.421 local terms energy: -638.853048 where: bonds (distance) C4'-P energy: -120.716 bonds (distance) P-C4' energy: -123.107 flat angles C4'-P-C4' energy: -131.426 flat angles P-C4'-P energy: -93.082 tors. eta vs tors. theta energy: -170.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1960.359323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.359323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.359323 (E_RNA) where: Base-Base interactions energy: -1340.125 where: short stacking energy: -568.580 Base-Backbone interact. energy: -2.669 local terms energy: -617.564815 where: bonds (distance) C4'-P energy: -103.162 bonds (distance) P-C4' energy: -128.801 flat angles C4'-P-C4' energy: -133.229 flat angles P-C4'-P energy: -77.713 tors. eta vs tors. theta energy: -174.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1916.680680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.680680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.680680 (E_RNA) where: Base-Base interactions energy: -1327.412 where: short stacking energy: -535.932 Base-Backbone interact. energy: -4.717 local terms energy: -584.550969 where: bonds (distance) C4'-P energy: -111.508 bonds (distance) P-C4' energy: -108.298 flat angles C4'-P-C4' energy: -141.297 flat angles P-C4'-P energy: -72.994 tors. eta vs tors. theta energy: -150.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1759.639157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.639157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.639157 (E_RNA) where: Base-Base interactions energy: -1178.065 where: short stacking energy: -509.960 Base-Backbone interact. energy: 0.620 local terms energy: -582.193937 where: bonds (distance) C4'-P energy: -99.912 bonds (distance) P-C4' energy: -106.287 flat angles C4'-P-C4' energy: -128.336 flat angles P-C4'-P energy: -87.905 tors. eta vs tors. theta energy: -159.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1665.006270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.006270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.006270 (E_RNA) where: Base-Base interactions energy: -1111.696 where: short stacking energy: -451.110 Base-Backbone interact. energy: -1.860 local terms energy: -551.450186 where: bonds (distance) C4'-P energy: -112.976 bonds (distance) P-C4' energy: -110.233 flat angles C4'-P-C4' energy: -133.879 flat angles P-C4'-P energy: -80.340 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: 6, replica: 4 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1494.921042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.921042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.921042 (E_RNA) where: Base-Base interactions energy: -962.336 where: short stacking energy: -419.445 Base-Backbone interact. energy: -1.331 local terms energy: -531.253944 where: bonds (distance) C4'-P energy: -103.731 bonds (distance) P-C4' energy: -118.120 flat angles C4'-P-C4' energy: -122.281 flat angles P-C4'-P energy: -70.924 tors. eta vs tors. theta energy: -116.198 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: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1291.675316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.675316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.675316 (E_RNA) where: Base-Base interactions energy: -790.336 where: short stacking energy: -371.544 Base-Backbone interact. energy: -2.130 local terms energy: -499.209583 where: bonds (distance) C4'-P energy: -113.239 bonds (distance) P-C4' energy: -104.650 flat angles C4'-P-C4' energy: -116.065 flat angles P-C4'-P energy: -62.301 tors. eta vs tors. theta energy: -102.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -634.636731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.636731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.636731 (E_RNA) where: Base-Base interactions energy: -261.671 where: short stacking energy: -182.277 Base-Backbone interact. energy: -0.682 local terms energy: -372.284507 where: bonds (distance) C4'-P energy: -104.617 bonds (distance) P-C4' energy: -115.393 flat angles C4'-P-C4' energy: -100.636 flat angles P-C4'-P energy: -54.241 tors. eta vs tors. theta energy: 2.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -732.196317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.196317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.196317 (E_RNA) where: Base-Base interactions energy: -364.392 where: short stacking energy: -208.891 Base-Backbone interact. energy: -2.795 local terms energy: -365.009913 where: bonds (distance) C4'-P energy: -108.038 bonds (distance) P-C4' energy: -102.997 flat angles C4'-P-C4' energy: -110.768 flat angles P-C4'-P energy: -42.407 tors. eta vs tors. theta energy: -0.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -587.408056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.408056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.408056 (E_RNA) where: Base-Base interactions energy: -270.731 where: short stacking energy: -144.488 Base-Backbone interact. energy: 0.283 local terms energy: -316.959493 where: bonds (distance) C4'-P energy: -84.361 bonds (distance) P-C4' energy: -113.051 flat angles C4'-P-C4' energy: -89.829 flat angles P-C4'-P energy: -55.099 tors. eta vs tors. theta energy: 25.381 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: 161 Temperature: 0.900000 Total energy: -2031.607368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.607368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.607368 (E_RNA) where: Base-Base interactions energy: -1369.239 where: short stacking energy: -577.590 Base-Backbone interact. energy: -0.739 local terms energy: -661.629433 where: bonds (distance) C4'-P energy: -123.419 bonds (distance) P-C4' energy: -122.827 flat angles C4'-P-C4' energy: -140.353 flat angles P-C4'-P energy: -94.430 tors. eta vs tors. theta energy: -180.601 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: 3 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1947.823102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.823102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.823102 (E_RNA) where: Base-Base interactions energy: -1324.458 where: short stacking energy: -563.504 Base-Backbone interact. energy: -0.609 local terms energy: -622.755533 where: bonds (distance) C4'-P energy: -120.288 bonds (distance) P-C4' energy: -110.000 flat angles C4'-P-C4' energy: -135.979 flat angles P-C4'-P energy: -88.746 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: 3, replica: 7 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1920.152825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.152825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.152825 (E_RNA) where: Base-Base interactions energy: -1317.290 where: short stacking energy: -552.341 Base-Backbone interact. energy: 1.002 local terms energy: -603.864937 where: bonds (distance) C4'-P energy: -120.354 bonds (distance) P-C4' energy: -117.292 flat angles C4'-P-C4' energy: -115.318 flat angles P-C4'-P energy: -77.897 tors. eta vs tors. theta energy: -173.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1753.221521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.221521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.221521 (E_RNA) where: Base-Base interactions energy: -1166.346 where: short stacking energy: -520.517 Base-Backbone interact. energy: -2.659 local terms energy: -584.216325 where: bonds (distance) C4'-P energy: -119.980 bonds (distance) P-C4' energy: -102.790 flat angles C4'-P-C4' energy: -127.810 flat angles P-C4'-P energy: -77.727 tors. eta vs tors. theta energy: -155.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1690.585564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.585564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.585564 (E_RNA) where: Base-Base interactions energy: -1152.332 where: short stacking energy: -464.632 Base-Backbone interact. energy: -0.980 local terms energy: -537.274125 where: bonds (distance) C4'-P energy: -101.907 bonds (distance) P-C4' energy: -108.824 flat angles C4'-P-C4' energy: -116.298 flat angles P-C4'-P energy: -77.750 tors. eta vs tors. theta energy: -132.494 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: 4 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1504.890386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.890386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.890386 (E_RNA) where: Base-Base interactions energy: -979.288 where: short stacking energy: -411.340 Base-Backbone interact. energy: -2.019 local terms energy: -523.582854 where: bonds (distance) C4'-P energy: -106.608 bonds (distance) P-C4' energy: -96.338 flat angles C4'-P-C4' energy: -125.759 flat angles P-C4'-P energy: -64.354 tors. eta vs tors. theta energy: -130.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1268.286778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.286778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.286778 (E_RNA) where: Base-Base interactions energy: -798.973 where: short stacking energy: -375.572 Base-Backbone interact. energy: 0.846 local terms energy: -470.159710 where: bonds (distance) C4'-P energy: -95.273 bonds (distance) P-C4' energy: -110.565 flat angles C4'-P-C4' energy: -106.418 flat angles P-C4'-P energy: -69.012 tors. eta vs tors. theta energy: -88.892 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: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -804.100284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.100284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.100284 (E_RNA) where: Base-Base interactions energy: -418.571 where: short stacking energy: -203.819 Base-Backbone interact. energy: 0.010 local terms energy: -385.538755 where: bonds (distance) C4'-P energy: -99.218 bonds (distance) P-C4' energy: -107.215 flat angles C4'-P-C4' energy: -106.048 flat angles P-C4'-P energy: -55.849 tors. eta vs tors. theta energy: -17.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -541.966730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.966730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.966730 (E_RNA) where: Base-Base interactions energy: -251.043 where: short stacking energy: -163.505 Base-Backbone interact. energy: -1.329 local terms energy: -289.594377 where: bonds (distance) C4'-P energy: -68.676 bonds (distance) P-C4' energy: -98.863 flat angles C4'-P-C4' energy: -83.466 flat angles P-C4'-P energy: -51.493 tors. eta vs tors. theta energy: 12.904 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: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -560.170785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.170785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.170785 (E_RNA) where: Base-Base interactions energy: -221.101 where: short stacking energy: -160.196 Base-Backbone interact. energy: -1.955 local terms energy: -337.114020 where: bonds (distance) C4'-P energy: -83.594 bonds (distance) P-C4' energy: -94.534 flat angles C4'-P-C4' energy: -95.765 flat angles P-C4'-P energy: -67.334 tors. eta vs tors. theta energy: 4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2028.688557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.688557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.688557 (E_RNA) where: Base-Base interactions energy: -1392.205 where: short stacking energy: -586.948 Base-Backbone interact. energy: -3.640 local terms energy: -632.844201 where: bonds (distance) C4'-P energy: -113.732 bonds (distance) P-C4' energy: -121.529 flat angles C4'-P-C4' energy: -145.319 flat angles P-C4'-P energy: -81.779 tors. eta vs tors. theta energy: -170.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1947.583934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.583934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.583934 (E_RNA) where: Base-Base interactions energy: -1318.254 where: short stacking energy: -533.871 Base-Backbone interact. energy: -1.738 local terms energy: -627.591976 where: bonds (distance) C4'-P energy: -120.973 bonds (distance) P-C4' energy: -108.040 flat angles C4'-P-C4' energy: -131.603 flat angles P-C4'-P energy: -89.201 tors. eta vs tors. theta energy: -177.775 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: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1912.703703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.703703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.703703 (E_RNA) where: Base-Base interactions energy: -1310.497 where: short stacking energy: -526.417 Base-Backbone interact. energy: -2.217 local terms energy: -599.989481 where: bonds (distance) C4'-P energy: -114.504 bonds (distance) P-C4' energy: -131.584 flat angles C4'-P-C4' energy: -127.906 flat angles P-C4'-P energy: -67.519 tors. eta vs tors. theta energy: -158.476 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: 10 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1775.583648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.583648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.583648 (E_RNA) where: Base-Base interactions energy: -1213.584 where: short stacking energy: -506.962 Base-Backbone interact. energy: 2.960 local terms energy: -564.959540 where: bonds (distance) C4'-P energy: -98.272 bonds (distance) P-C4' energy: -125.746 flat angles C4'-P-C4' energy: -117.782 flat angles P-C4'-P energy: -79.067 tors. eta vs tors. theta energy: -144.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1669.593317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.593317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.593317 (E_RNA) where: Base-Base interactions energy: -1130.794 where: short stacking energy: -482.458 Base-Backbone interact. energy: -3.210 local terms energy: -535.588383 where: bonds (distance) C4'-P energy: -99.150 bonds (distance) P-C4' energy: -90.409 flat angles C4'-P-C4' energy: -127.192 flat angles P-C4'-P energy: -78.472 tors. eta vs tors. theta energy: -140.366 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: 4 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1464.673466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.673466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.673466 (E_RNA) where: Base-Base interactions energy: -948.572 where: short stacking energy: -422.709 Base-Backbone interact. energy: -1.199 local terms energy: -514.902332 where: bonds (distance) C4'-P energy: -97.600 bonds (distance) P-C4' energy: -102.467 flat angles C4'-P-C4' energy: -124.319 flat angles P-C4'-P energy: -78.649 tors. eta vs tors. theta energy: -111.866 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: 2 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1290.252468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.252468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.252468 (E_RNA) where: Base-Base interactions energy: -824.335 where: short stacking energy: -381.641 Base-Backbone interact. energy: -0.848 local terms energy: -465.069971 where: bonds (distance) C4'-P energy: -96.613 bonds (distance) P-C4' energy: -111.790 flat angles C4'-P-C4' energy: -101.873 flat angles P-C4'-P energy: -73.508 tors. eta vs tors. theta energy: -81.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -762.849317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.849317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.849317 (E_RNA) where: Base-Base interactions energy: -387.699 where: short stacking energy: -217.309 Base-Backbone interact. energy: -0.575 local terms energy: -374.575756 where: bonds (distance) C4'-P energy: -100.799 bonds (distance) P-C4' energy: -98.012 flat angles C4'-P-C4' energy: -95.781 flat angles P-C4'-P energy: -60.350 tors. eta vs tors. theta energy: -19.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -605.701744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.701744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.701744 (E_RNA) where: Base-Base interactions energy: -258.393 where: short stacking energy: -170.734 Base-Backbone interact. energy: -2.155 local terms energy: -345.153779 where: bonds (distance) C4'-P energy: -91.892 bonds (distance) P-C4' energy: -110.106 flat angles C4'-P-C4' energy: -80.084 flat angles P-C4'-P energy: -66.557 tors. eta vs tors. theta energy: 3.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -490.378143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.378143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.378143 (E_RNA) where: Base-Base interactions energy: -195.411 where: short stacking energy: -120.892 Base-Backbone interact. energy: 2.855 local terms energy: -297.821955 where: bonds (distance) C4'-P energy: -95.250 bonds (distance) P-C4' energy: -100.889 flat angles C4'-P-C4' energy: -71.035 flat angles P-C4'-P energy: -42.924 tors. eta vs tors. theta energy: 12.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2044.948471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.948471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.948471 (E_RNA) where: Base-Base interactions energy: -1388.362 where: short stacking energy: -580.440 Base-Backbone interact. energy: -2.120 local terms energy: -654.466840 where: bonds (distance) C4'-P energy: -115.129 bonds (distance) P-C4' energy: -120.594 flat angles C4'-P-C4' energy: -146.839 flat angles P-C4'-P energy: -87.016 tors. eta vs tors. theta energy: -184.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1963.170155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.170155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.170155 (E_RNA) where: Base-Base interactions energy: -1339.836 where: short stacking energy: -569.739 Base-Backbone interact. energy: 0.967 local terms energy: -624.300776 where: bonds (distance) C4'-P energy: -110.407 bonds (distance) P-C4' energy: -119.479 flat angles C4'-P-C4' energy: -129.412 flat angles P-C4'-P energy: -85.965 tors. eta vs tors. theta energy: -179.038 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: 7 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1896.936153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.936153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.936153 (E_RNA) where: Base-Base interactions energy: -1282.783 where: short stacking energy: -541.156 Base-Backbone interact. energy: -0.467 local terms energy: -613.686485 where: bonds (distance) C4'-P energy: -105.683 bonds (distance) P-C4' energy: -115.802 flat angles C4'-P-C4' energy: -135.861 flat angles P-C4'-P energy: -86.842 tors. eta vs tors. theta energy: -169.499 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: 10 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1768.353184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.353184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.353184 (E_RNA) where: Base-Base interactions energy: -1230.786 where: short stacking energy: -500.288 Base-Backbone interact. energy: 4.303 local terms energy: -541.869770 where: bonds (distance) C4'-P energy: -110.043 bonds (distance) P-C4' energy: -96.873 flat angles C4'-P-C4' energy: -110.380 flat angles P-C4'-P energy: -79.143 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: 5, replica: 1 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1673.508978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.508978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.508978 (E_RNA) where: Base-Base interactions energy: -1100.210 where: short stacking energy: -478.622 Base-Backbone interact. energy: 1.697 local terms energy: -574.996267 where: bonds (distance) C4'-P energy: -128.288 bonds (distance) P-C4' energy: -109.003 flat angles C4'-P-C4' energy: -123.936 flat angles P-C4'-P energy: -78.019 tors. eta vs tors. theta energy: -135.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1477.881841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.881841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.881841 (E_RNA) where: Base-Base interactions energy: -960.563 where: short stacking energy: -409.802 Base-Backbone interact. energy: -1.103 local terms energy: -516.216144 where: bonds (distance) C4'-P energy: -114.325 bonds (distance) P-C4' energy: -100.960 flat angles C4'-P-C4' energy: -117.697 flat angles P-C4'-P energy: -78.100 tors. eta vs tors. theta energy: -105.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1296.438728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.438728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.438728 (E_RNA) where: Base-Base interactions energy: -817.848 where: short stacking energy: -373.813 Base-Backbone interact. energy: -1.521 local terms energy: -477.069679 where: bonds (distance) C4'-P energy: -108.159 bonds (distance) P-C4' energy: -103.242 flat angles C4'-P-C4' energy: -110.589 flat angles P-C4'-P energy: -69.148 tors. eta vs tors. theta energy: -85.932 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: 8, replica: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -794.228361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.228361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.228361 (E_RNA) where: Base-Base interactions energy: -417.782 where: short stacking energy: -219.238 Base-Backbone interact. energy: 4.092 local terms energy: -380.538601 where: bonds (distance) C4'-P energy: -113.213 bonds (distance) P-C4' energy: -105.807 flat angles C4'-P-C4' energy: -88.735 flat angles P-C4'-P energy: -59.845 tors. eta vs tors. theta energy: -12.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -604.290322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.290322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.290322 (E_RNA) where: Base-Base interactions energy: -278.891 where: short stacking energy: -168.188 Base-Backbone interact. energy: 1.861 local terms energy: -327.260750 where: bonds (distance) C4'-P energy: -93.957 bonds (distance) P-C4' energy: -114.656 flat angles C4'-P-C4' energy: -76.268 flat angles P-C4'-P energy: -50.433 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: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -521.102767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.102767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.102767 (E_RNA) where: Base-Base interactions energy: -219.028 where: short stacking energy: -109.496 Base-Backbone interact. energy: 9.152 local terms energy: -311.226599 where: bonds (distance) C4'-P energy: -108.297 bonds (distance) P-C4' energy: -105.852 flat angles C4'-P-C4' energy: -70.100 flat angles P-C4'-P energy: -43.693 tors. eta vs tors. theta energy: 16.716 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: 164 Temperature: 0.900000 Total energy: -2049.557160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.557160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.557160 (E_RNA) where: Base-Base interactions energy: -1417.304 where: short stacking energy: -580.966 Base-Backbone interact. energy: -0.269 local terms energy: -631.983429 where: bonds (distance) C4'-P energy: -106.869 bonds (distance) P-C4' energy: -120.926 flat angles C4'-P-C4' energy: -142.628 flat angles P-C4'-P energy: -89.097 tors. eta vs tors. theta energy: -172.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1945.001987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.001987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.001987 (E_RNA) where: Base-Base interactions energy: -1333.261 where: short stacking energy: -530.986 Base-Backbone interact. energy: -1.696 local terms energy: -610.044746 where: bonds (distance) C4'-P energy: -103.075 bonds (distance) P-C4' energy: -121.044 flat angles C4'-P-C4' energy: -123.831 flat angles P-C4'-P energy: -83.736 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: 3, replica: 7 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1872.614855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.614855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.614855 (E_RNA) where: Base-Base interactions energy: -1256.000 where: short stacking energy: -547.135 Base-Backbone interact. energy: -2.220 local terms energy: -614.394798 where: bonds (distance) C4'-P energy: -114.069 bonds (distance) P-C4' energy: -118.876 flat angles C4'-P-C4' energy: -119.690 flat angles P-C4'-P energy: -95.983 tors. eta vs tors. theta energy: -165.778 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: 10 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1743.419199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.419199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.419199 (E_RNA) where: Base-Base interactions energy: -1188.440 where: short stacking energy: -503.431 Base-Backbone interact. energy: -3.407 local terms energy: -551.572638 where: bonds (distance) C4'-P energy: -110.515 bonds (distance) P-C4' energy: -90.348 flat angles C4'-P-C4' energy: -124.291 flat angles P-C4'-P energy: -84.436 tors. eta vs tors. theta energy: -141.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1648.714425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.714425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.714425 (E_RNA) where: Base-Base interactions energy: -1113.908 where: short stacking energy: -490.410 Base-Backbone interact. energy: -1.030 local terms energy: -533.776622 where: bonds (distance) C4'-P energy: -105.330 bonds (distance) P-C4' energy: -95.574 flat angles C4'-P-C4' energy: -120.131 flat angles P-C4'-P energy: -75.816 tors. eta vs tors. theta energy: -136.925 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: 6, replica: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1526.376217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.376217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.376217 (E_RNA) where: Base-Base interactions energy: -993.801 where: short stacking energy: -463.531 Base-Backbone interact. energy: -0.520 local terms energy: -532.055137 where: bonds (distance) C4'-P energy: -100.560 bonds (distance) P-C4' energy: -106.259 flat angles C4'-P-C4' energy: -119.744 flat angles P-C4'-P energy: -64.631 tors. eta vs tors. theta energy: -140.861 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: 2 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1353.191571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.191571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.191571 (E_RNA) where: Base-Base interactions energy: -857.879 where: short stacking energy: -383.118 Base-Backbone interact. energy: -1.703 local terms energy: -493.610341 where: bonds (distance) C4'-P energy: -107.549 bonds (distance) P-C4' energy: -100.112 flat angles C4'-P-C4' energy: -117.860 flat angles P-C4'-P energy: -79.191 tors. eta vs tors. theta energy: -88.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -821.978678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.978678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.978678 (E_RNA) where: Base-Base interactions energy: -455.456 where: short stacking energy: -220.164 Base-Backbone interact. energy: -0.167 local terms energy: -366.356089 where: bonds (distance) C4'-P energy: -100.332 bonds (distance) P-C4' energy: -104.274 flat angles C4'-P-C4' energy: -90.956 flat angles P-C4'-P energy: -55.006 tors. eta vs tors. theta energy: -15.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -600.817733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.817733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.817733 (E_RNA) where: Base-Base interactions energy: -255.974 where: short stacking energy: -157.913 Base-Backbone interact. energy: 2.218 local terms energy: -347.061904 where: bonds (distance) C4'-P energy: -97.847 bonds (distance) P-C4' energy: -112.094 flat angles C4'-P-C4' energy: -105.461 flat angles P-C4'-P energy: -44.907 tors. eta vs tors. theta energy: 13.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -483.901811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.901811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.901811 (E_RNA) where: Base-Base interactions energy: -193.255 where: short stacking energy: -135.475 Base-Backbone interact. energy: 3.925 local terms energy: -294.572372 where: bonds (distance) C4'-P energy: -92.847 bonds (distance) P-C4' energy: -115.515 flat angles C4'-P-C4' energy: -77.138 flat angles P-C4'-P energy: -29.063 tors. eta vs tors. theta energy: 19.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2042.473876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.473876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.473876 (E_RNA) where: Base-Base interactions energy: -1393.553 where: short stacking energy: -571.374 Base-Backbone interact. energy: -5.101 local terms energy: -643.819870 where: bonds (distance) C4'-P energy: -115.756 bonds (distance) P-C4' energy: -119.640 flat angles C4'-P-C4' energy: -142.306 flat angles P-C4'-P energy: -96.345 tors. eta vs tors. theta energy: -169.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1980.879958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.879958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.879958 (E_RNA) where: Base-Base interactions energy: -1345.382 where: short stacking energy: -553.770 Base-Backbone interact. energy: -1.412 local terms energy: -634.086343 where: bonds (distance) C4'-P energy: -127.224 bonds (distance) P-C4' energy: -119.130 flat angles C4'-P-C4' energy: -128.596 flat angles P-C4'-P energy: -79.674 tors. eta vs tors. theta energy: -179.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1884.986508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.986508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.986508 (E_RNA) where: Base-Base interactions energy: -1294.078 where: short stacking energy: -550.454 Base-Backbone interact. energy: -3.263 local terms energy: -587.645150 where: bonds (distance) C4'-P energy: -112.015 bonds (distance) P-C4' energy: -108.352 flat angles C4'-P-C4' energy: -127.493 flat angles P-C4'-P energy: -75.175 tors. eta vs tors. theta energy: -164.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1726.063856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.063856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.063856 (E_RNA) where: Base-Base interactions energy: -1144.532 where: short stacking energy: -481.744 Base-Backbone interact. energy: -3.914 local terms energy: -577.617959 where: bonds (distance) C4'-P energy: -98.639 bonds (distance) P-C4' energy: -126.697 flat angles C4'-P-C4' energy: -129.294 flat angles P-C4'-P energy: -79.319 tors. eta vs tors. theta energy: -143.669 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: 5, replica: 1 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1660.185699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.185699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.185699 (E_RNA) where: Base-Base interactions energy: -1119.744 where: short stacking energy: -464.788 Base-Backbone interact. energy: -3.097 local terms energy: -537.344380 where: bonds (distance) C4'-P energy: -105.112 bonds (distance) P-C4' energy: -104.858 flat angles C4'-P-C4' energy: -115.842 flat angles P-C4'-P energy: -79.593 tors. eta vs tors. theta energy: -131.939 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: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1503.411601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.411601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.411601 (E_RNA) where: Base-Base interactions energy: -970.638 where: short stacking energy: -437.599 Base-Backbone interact. energy: -1.298 local terms energy: -531.475562 where: bonds (distance) C4'-P energy: -105.056 bonds (distance) P-C4' energy: -117.769 flat angles C4'-P-C4' energy: -124.646 flat angles P-C4'-P energy: -61.562 tors. eta vs tors. theta energy: -122.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1349.273655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.273655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.273655 (E_RNA) where: Base-Base interactions energy: -854.191 where: short stacking energy: -380.718 Base-Backbone interact. energy: -2.030 local terms energy: -493.052512 where: bonds (distance) C4'-P energy: -99.602 bonds (distance) P-C4' energy: -111.219 flat angles C4'-P-C4' energy: -111.625 flat angles P-C4'-P energy: -65.394 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: 8, replica: 6 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -876.982255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.982255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.982255 (E_RNA) where: Base-Base interactions energy: -501.499 where: short stacking energy: -241.410 Base-Backbone interact. energy: 2.138 local terms energy: -377.621214 where: bonds (distance) C4'-P energy: -94.974 bonds (distance) P-C4' energy: -108.726 flat angles C4'-P-C4' energy: -95.918 flat angles P-C4'-P energy: -64.691 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: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -602.307746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.307746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.307746 (E_RNA) where: Base-Base interactions energy: -259.977 where: short stacking energy: -177.902 Base-Backbone interact. energy: -2.727 local terms energy: -339.603165 where: bonds (distance) C4'-P energy: -85.414 bonds (distance) P-C4' energy: -106.361 flat angles C4'-P-C4' energy: -89.930 flat angles P-C4'-P energy: -64.672 tors. eta vs tors. theta energy: 6.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -468.518384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.518384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.518384 (E_RNA) where: Base-Base interactions energy: -129.606 where: short stacking energy: -103.640 Base-Backbone interact. energy: 1.834 local terms energy: -340.746282 where: bonds (distance) C4'-P energy: -97.534 bonds (distance) P-C4' energy: -110.921 flat angles C4'-P-C4' energy: -94.335 flat angles P-C4'-P energy: -59.857 tors. eta vs tors. theta energy: 21.901 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: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2025.160673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.160673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.160673 (E_RNA) where: Base-Base interactions energy: -1360.996 where: short stacking energy: -570.341 Base-Backbone interact. energy: -3.117 local terms energy: -661.047978 where: bonds (distance) C4'-P energy: -127.955 bonds (distance) P-C4' energy: -126.652 flat angles C4'-P-C4' energy: -138.750 flat angles P-C4'-P energy: -93.011 tors. eta vs tors. theta energy: -174.680 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: 166 Temperature: 0.950000 Total energy: -1984.547264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.547264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.547264 (E_RNA) where: Base-Base interactions energy: -1344.080 where: short stacking energy: -556.609 Base-Backbone interact. energy: -2.705 local terms energy: -637.762951 where: bonds (distance) C4'-P energy: -122.125 bonds (distance) P-C4' energy: -112.431 flat angles C4'-P-C4' energy: -139.706 flat angles P-C4'-P energy: -96.430 tors. eta vs tors. theta energy: -167.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1923.096580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.096580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.096580 (E_RNA) where: Base-Base interactions energy: -1313.922 where: short stacking energy: -549.556 Base-Backbone interact. energy: 2.551 local terms energy: -611.725332 where: bonds (distance) C4'-P energy: -116.212 bonds (distance) P-C4' energy: -111.565 flat angles C4'-P-C4' energy: -130.627 flat angles P-C4'-P energy: -83.277 tors. eta vs tors. theta energy: -170.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1760.912952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.912952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.912952 (E_RNA) where: Base-Base interactions energy: -1189.599 where: short stacking energy: -482.934 Base-Backbone interact. energy: 1.443 local terms energy: -572.756477 where: bonds (distance) C4'-P energy: -125.418 bonds (distance) P-C4' energy: -110.924 flat angles C4'-P-C4' energy: -136.489 flat angles P-C4'-P energy: -60.813 tors. eta vs tors. theta energy: -139.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1690.407843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.407843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.407843 (E_RNA) where: Base-Base interactions energy: -1158.015 where: short stacking energy: -477.353 Base-Backbone interact. energy: -0.320 local terms energy: -532.072693 where: bonds (distance) C4'-P energy: -97.299 bonds (distance) P-C4' energy: -111.478 flat angles C4'-P-C4' energy: -112.031 flat angles P-C4'-P energy: -74.178 tors. eta vs tors. theta energy: -137.086 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: 4 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1552.125430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.125430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.125430 (E_RNA) where: Base-Base interactions energy: -1009.814 where: short stacking energy: -456.088 Base-Backbone interact. energy: 0.294 local terms energy: -542.605579 where: bonds (distance) C4'-P energy: -110.082 bonds (distance) P-C4' energy: -110.775 flat angles C4'-P-C4' energy: -123.064 flat angles P-C4'-P energy: -65.342 tors. eta vs tors. theta energy: -133.342 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: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1331.522823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.522823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.522823 (E_RNA) where: Base-Base interactions energy: -841.159 where: short stacking energy: -390.993 Base-Backbone interact. energy: 1.082 local terms energy: -491.446228 where: bonds (distance) C4'-P energy: -106.925 bonds (distance) P-C4' energy: -115.067 flat angles C4'-P-C4' energy: -106.829 flat angles P-C4'-P energy: -61.128 tors. eta vs tors. theta energy: -101.497 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: 6 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -856.357898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.357898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.357898 (E_RNA) where: Base-Base interactions energy: -452.426 where: short stacking energy: -227.981 Base-Backbone interact. energy: 3.217 local terms energy: -407.148725 where: bonds (distance) C4'-P energy: -107.852 bonds (distance) P-C4' energy: -121.410 flat angles C4'-P-C4' energy: -117.304 flat angles P-C4'-P energy: -47.930 tors. eta vs tors. theta energy: -12.653 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: 8 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -612.784200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.784200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.784200 (E_RNA) where: Base-Base interactions energy: -231.949 where: short stacking energy: -143.272 Base-Backbone interact. energy: 5.230 local terms energy: -386.065060 where: bonds (distance) C4'-P energy: -104.047 bonds (distance) P-C4' energy: -107.637 flat angles C4'-P-C4' energy: -107.698 flat angles P-C4'-P energy: -65.516 tors. eta vs tors. theta energy: -1.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -531.242083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.242083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.242083 (E_RNA) where: Base-Base interactions energy: -192.209 where: short stacking energy: -141.082 Base-Backbone interact. energy: 11.188 local terms energy: -350.220938 where: bonds (distance) C4'-P energy: -88.094 bonds (distance) P-C4' energy: -123.168 flat angles C4'-P-C4' energy: -104.813 flat angles P-C4'-P energy: -51.992 tors. eta vs tors. theta energy: 17.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2034.396344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.396344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.396344 (E_RNA) where: Base-Base interactions energy: -1370.658 where: short stacking energy: -569.802 Base-Backbone interact. energy: -2.152 local terms energy: -661.586458 where: bonds (distance) C4'-P energy: -128.618 bonds (distance) P-C4' energy: -133.688 flat angles C4'-P-C4' energy: -134.588 flat angles P-C4'-P energy: -93.349 tors. eta vs tors. theta energy: -171.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1957.067040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.067040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.067040 (E_RNA) where: Base-Base interactions energy: -1330.278 where: short stacking energy: -542.942 Base-Backbone interact. energy: -4.037 local terms energy: -622.751886 where: bonds (distance) C4'-P energy: -119.073 bonds (distance) P-C4' energy: -123.863 flat angles C4'-P-C4' energy: -119.430 flat angles P-C4'-P energy: -85.663 tors. eta vs tors. theta energy: -174.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1908.227527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.227527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.227527 (E_RNA) where: Base-Base interactions energy: -1291.782 where: short stacking energy: -541.758 Base-Backbone interact. energy: -1.062 local terms energy: -615.383236 where: bonds (distance) C4'-P energy: -125.717 bonds (distance) P-C4' energy: -124.316 flat angles C4'-P-C4' energy: -120.992 flat angles P-C4'-P energy: -85.230 tors. eta vs tors. theta energy: -159.129 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: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1796.474702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.474702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.474702 (E_RNA) where: Base-Base interactions energy: -1196.280 where: short stacking energy: -495.007 Base-Backbone interact. energy: -3.075 local terms energy: -597.119173 where: bonds (distance) C4'-P energy: -115.085 bonds (distance) P-C4' energy: -128.155 flat angles C4'-P-C4' energy: -127.439 flat angles P-C4'-P energy: -72.264 tors. eta vs tors. theta energy: -154.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1777.653339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.653339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.653339 (E_RNA) where: Base-Base interactions energy: -1192.709 where: short stacking energy: -521.470 Base-Backbone interact. energy: -0.245 local terms energy: -584.699332 where: bonds (distance) C4'-P energy: -116.462 bonds (distance) P-C4' energy: -105.765 flat angles C4'-P-C4' energy: -122.553 flat angles P-C4'-P energy: -83.349 tors. eta vs tors. theta energy: -156.570 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: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1592.475190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.475190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.475190 (E_RNA) where: Base-Base interactions energy: -1056.091 where: short stacking energy: -477.973 Base-Backbone interact. energy: -0.727 local terms energy: -535.657738 where: bonds (distance) C4'-P energy: -101.276 bonds (distance) P-C4' energy: -92.850 flat angles C4'-P-C4' energy: -127.963 flat angles P-C4'-P energy: -83.000 tors. eta vs tors. theta energy: -130.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1343.931702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.931702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.931702 (E_RNA) where: Base-Base interactions energy: -859.283 where: short stacking energy: -413.883 Base-Backbone interact. energy: -1.559 local terms energy: -483.089972 where: bonds (distance) C4'-P energy: -104.103 bonds (distance) P-C4' energy: -106.508 flat angles C4'-P-C4' energy: -105.527 flat angles P-C4'-P energy: -61.140 tors. eta vs tors. theta energy: -105.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -819.758738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.758738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.758738 (E_RNA) where: Base-Base interactions energy: -448.323 where: short stacking energy: -217.554 Base-Backbone interact. energy: -1.861 local terms energy: -369.574960 where: bonds (distance) C4'-P energy: -94.488 bonds (distance) P-C4' energy: -109.029 flat angles C4'-P-C4' energy: -94.989 flat angles P-C4'-P energy: -50.255 tors. eta vs tors. theta energy: -20.814 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: 8 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -623.014444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.014444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.014444 (E_RNA) where: Base-Base interactions energy: -296.250 where: short stacking energy: -173.261 Base-Backbone interact. energy: 1.425 local terms energy: -328.190027 where: bonds (distance) C4'-P energy: -95.630 bonds (distance) P-C4' energy: -103.807 flat angles C4'-P-C4' energy: -92.336 flat angles P-C4'-P energy: -52.663 tors. eta vs tors. theta energy: 16.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -480.086105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.086105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.086105 (E_RNA) where: Base-Base interactions energy: -189.520 where: short stacking energy: -157.793 Base-Backbone interact. energy: 2.530 local terms energy: -293.096232 where: bonds (distance) C4'-P energy: -93.867 bonds (distance) P-C4' energy: -98.166 flat angles C4'-P-C4' energy: -79.096 flat angles P-C4'-P energy: -46.280 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: 168 Temperature: 0.900000 Total energy: -2032.499026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.499026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.499026 (E_RNA) where: Base-Base interactions energy: -1405.561 where: short stacking energy: -571.232 Base-Backbone interact. energy: -1.908 local terms energy: -625.029515 where: bonds (distance) C4'-P energy: -112.866 bonds (distance) P-C4' energy: -130.764 flat angles C4'-P-C4' energy: -136.152 flat angles P-C4'-P energy: -88.185 tors. eta vs tors. theta energy: -157.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1951.898922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.898922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.898922 (E_RNA) where: Base-Base interactions energy: -1331.094 where: short stacking energy: -540.813 Base-Backbone interact. energy: -3.400 local terms energy: -617.404931 where: bonds (distance) C4'-P energy: -116.095 bonds (distance) P-C4' energy: -118.415 flat angles C4'-P-C4' energy: -121.506 flat angles P-C4'-P energy: -90.352 tors. eta vs tors. theta energy: -171.036 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: 7 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1944.109295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.109295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.109295 (E_RNA) where: Base-Base interactions energy: -1342.810 where: short stacking energy: -546.893 Base-Backbone interact. energy: -2.469 local terms energy: -598.830747 where: bonds (distance) C4'-P energy: -101.825 bonds (distance) P-C4' energy: -121.182 flat angles C4'-P-C4' energy: -125.734 flat angles P-C4'-P energy: -80.259 tors. eta vs tors. theta energy: -169.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1816.093064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.093064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.093064 (E_RNA) where: Base-Base interactions energy: -1230.482 where: short stacking energy: -513.166 Base-Backbone interact. energy: -5.999 local terms energy: -579.612678 where: bonds (distance) C4'-P energy: -104.338 bonds (distance) P-C4' energy: -118.671 flat angles C4'-P-C4' energy: -123.164 flat angles P-C4'-P energy: -89.143 tors. eta vs tors. theta energy: -144.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1756.767316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.767316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.767316 (E_RNA) where: Base-Base interactions energy: -1179.996 where: short stacking energy: -511.646 Base-Backbone interact. energy: 1.760 local terms energy: -578.530673 where: bonds (distance) C4'-P energy: -103.694 bonds (distance) P-C4' energy: -118.263 flat angles C4'-P-C4' energy: -121.681 flat angles P-C4'-P energy: -86.805 tors. eta vs tors. theta energy: -148.088 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: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1520.500779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.500779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.500779 (E_RNA) where: Base-Base interactions energy: -982.071 where: short stacking energy: -438.579 Base-Backbone interact. energy: 4.441 local terms energy: -542.871739 where: bonds (distance) C4'-P energy: -116.044 bonds (distance) P-C4' energy: -113.540 flat angles C4'-P-C4' energy: -108.768 flat angles P-C4'-P energy: -78.665 tors. eta vs tors. theta energy: -125.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1361.036815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.036815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.036815 (E_RNA) where: Base-Base interactions energy: -872.846 where: short stacking energy: -407.633 Base-Backbone interact. energy: -1.431 local terms energy: -486.759025 where: bonds (distance) C4'-P energy: -102.543 bonds (distance) P-C4' energy: -112.967 flat angles C4'-P-C4' energy: -112.095 flat angles P-C4'-P energy: -57.887 tors. eta vs tors. theta energy: -101.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -861.478047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.478047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.478047 (E_RNA) where: Base-Base interactions energy: -466.024 where: short stacking energy: -261.582 Base-Backbone interact. energy: -3.263 local terms energy: -392.191499 where: bonds (distance) C4'-P energy: -103.414 bonds (distance) P-C4' energy: -100.547 flat angles C4'-P-C4' energy: -111.992 flat angles P-C4'-P energy: -39.926 tors. eta vs tors. theta energy: -36.312 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: 8 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -604.268481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.268481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.268481 (E_RNA) where: Base-Base interactions energy: -250.647 where: short stacking energy: -180.515 Base-Backbone interact. energy: -1.234 local terms energy: -352.386856 where: bonds (distance) C4'-P energy: -101.564 bonds (distance) P-C4' energy: -112.682 flat angles C4'-P-C4' energy: -76.991 flat angles P-C4'-P energy: -56.396 tors. eta vs tors. theta energy: -4.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -493.648042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.648042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.648042 (E_RNA) where: Base-Base interactions energy: -186.046 where: short stacking energy: -140.645 Base-Backbone interact. energy: 2.613 local terms energy: -310.214783 where: bonds (distance) C4'-P energy: -109.862 bonds (distance) P-C4' energy: -94.988 flat angles C4'-P-C4' energy: -97.913 flat angles P-C4'-P energy: -31.971 tors. eta vs tors. theta energy: 24.519 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: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2034.259407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.259407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.259407 (E_RNA) where: Base-Base interactions energy: -1387.409 where: short stacking energy: -587.763 Base-Backbone interact. energy: -2.684 local terms energy: -644.166458 where: bonds (distance) C4'-P energy: -127.274 bonds (distance) P-C4' energy: -127.007 flat angles C4'-P-C4' energy: -145.612 flat angles P-C4'-P energy: -81.788 tors. eta vs tors. theta energy: -162.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1986.839430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.839430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.839430 (E_RNA) where: Base-Base interactions energy: -1346.502 where: short stacking energy: -561.472 Base-Backbone interact. energy: -2.853 local terms energy: -637.483670 where: bonds (distance) C4'-P energy: -110.164 bonds (distance) P-C4' energy: -138.946 flat angles C4'-P-C4' energy: -128.966 flat angles P-C4'-P energy: -88.977 tors. eta vs tors. theta energy: -170.431 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: 3, replica: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1946.361110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.361110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.361110 (E_RNA) where: Base-Base interactions energy: -1335.432 where: short stacking energy: -565.515 Base-Backbone interact. energy: -1.221 local terms energy: -609.708335 where: bonds (distance) C4'-P energy: -108.456 bonds (distance) P-C4' energy: -109.942 flat angles C4'-P-C4' energy: -134.399 flat angles P-C4'-P energy: -86.323 tors. eta vs tors. theta energy: -170.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1742.103467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.103467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.103467 (E_RNA) where: Base-Base interactions energy: -1169.386 where: short stacking energy: -472.397 Base-Backbone interact. energy: -7.690 local terms energy: -565.027637 where: bonds (distance) C4'-P energy: -112.315 bonds (distance) P-C4' energy: -122.893 flat angles C4'-P-C4' energy: -126.702 flat angles P-C4'-P energy: -70.998 tors. eta vs tors. theta energy: -132.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1741.833727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.833727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.833727 (E_RNA) where: Base-Base interactions energy: -1159.450 where: short stacking energy: -489.441 Base-Backbone interact. energy: 0.862 local terms energy: -583.245073 where: bonds (distance) C4'-P energy: -119.278 bonds (distance) P-C4' energy: -115.509 flat angles C4'-P-C4' energy: -121.147 flat angles P-C4'-P energy: -75.233 tors. eta vs tors. theta energy: -152.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1516.656193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.656193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.656193 (E_RNA) where: Base-Base interactions energy: -1017.973 where: short stacking energy: -453.176 Base-Backbone interact. energy: -4.127 local terms energy: -494.555903 where: bonds (distance) C4'-P energy: -90.294 bonds (distance) P-C4' energy: -107.006 flat angles C4'-P-C4' energy: -108.985 flat angles P-C4'-P energy: -70.943 tors. eta vs tors. theta energy: -117.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1366.079511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.079511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.079511 (E_RNA) where: Base-Base interactions energy: -876.082 where: short stacking energy: -388.727 Base-Backbone interact. energy: -0.177 local terms energy: -489.820183 where: bonds (distance) C4'-P energy: -90.407 bonds (distance) P-C4' energy: -101.705 flat angles C4'-P-C4' energy: -117.635 flat angles P-C4'-P energy: -81.848 tors. eta vs tors. theta energy: -98.225 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: 6 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -874.517813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.517813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.517813 (E_RNA) where: Base-Base interactions energy: -481.865 where: short stacking energy: -255.148 Base-Backbone interact. energy: 0.026 local terms energy: -392.677960 where: bonds (distance) C4'-P energy: -81.498 bonds (distance) P-C4' energy: -112.723 flat angles C4'-P-C4' energy: -102.842 flat angles P-C4'-P energy: -60.583 tors. eta vs tors. theta energy: -35.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -603.967296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.967296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.967296 (E_RNA) where: Base-Base interactions energy: -276.642 where: short stacking energy: -156.371 Base-Backbone interact. energy: 9.095 local terms energy: -336.420606 where: bonds (distance) C4'-P energy: -87.354 bonds (distance) P-C4' energy: -126.377 flat angles C4'-P-C4' energy: -78.260 flat angles P-C4'-P energy: -60.032 tors. eta vs tors. theta energy: 15.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -452.943191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.943191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.943191 (E_RNA) where: Base-Base interactions energy: -172.522 where: short stacking energy: -145.517 Base-Backbone interact. energy: -1.518 local terms energy: -278.903053 where: bonds (distance) C4'-P energy: -77.625 bonds (distance) P-C4' energy: -96.162 flat angles C4'-P-C4' energy: -90.274 flat angles P-C4'-P energy: -33.492 tors. eta vs tors. theta energy: 18.650 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: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1998.187454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.187454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.187454 (E_RNA) where: Base-Base interactions energy: -1356.158 where: short stacking energy: -556.639 Base-Backbone interact. energy: -3.760 local terms energy: -638.269001 where: bonds (distance) C4'-P energy: -116.749 bonds (distance) P-C4' energy: -119.488 flat angles C4'-P-C4' energy: -137.761 flat angles P-C4'-P energy: -88.260 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: 2, replica: 3 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2018.051205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.051205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.051205 (E_RNA) where: Base-Base interactions energy: -1401.229 where: short stacking energy: -559.872 Base-Backbone interact. energy: -2.510 local terms energy: -614.311690 where: bonds (distance) C4'-P energy: -122.422 bonds (distance) P-C4' energy: -109.703 flat angles C4'-P-C4' energy: -124.482 flat angles P-C4'-P energy: -83.457 tors. eta vs tors. theta energy: -174.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1946.504187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.504187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.504187 (E_RNA) where: Base-Base interactions energy: -1341.310 where: short stacking energy: -583.736 Base-Backbone interact. energy: -2.347 local terms energy: -602.847117 where: bonds (distance) C4'-P energy: -104.230 bonds (distance) P-C4' energy: -114.091 flat angles C4'-P-C4' energy: -126.560 flat angles P-C4'-P energy: -80.466 tors. eta vs tors. theta energy: -177.499 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: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1768.075205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.075205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.075205 (E_RNA) where: Base-Base interactions energy: -1210.248 where: short stacking energy: -506.422 Base-Backbone interact. energy: -1.554 local terms energy: -556.274026 where: bonds (distance) C4'-P energy: -94.951 bonds (distance) P-C4' energy: -131.651 flat angles C4'-P-C4' energy: -122.117 flat angles P-C4'-P energy: -59.583 tors. eta vs tors. theta energy: -147.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1701.965727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.965727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.965727 (E_RNA) where: Base-Base interactions energy: -1156.308 where: short stacking energy: -479.133 Base-Backbone interact. energy: -0.705 local terms energy: -544.952749 where: bonds (distance) C4'-P energy: -100.359 bonds (distance) P-C4' energy: -112.482 flat angles C4'-P-C4' energy: -120.731 flat angles P-C4'-P energy: -81.449 tors. eta vs tors. theta energy: -129.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1486.414192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.414192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.414192 (E_RNA) where: Base-Base interactions energy: -992.482 where: short stacking energy: -431.286 Base-Backbone interact. energy: -2.228 local terms energy: -491.704168 where: bonds (distance) C4'-P energy: -89.462 bonds (distance) P-C4' energy: -104.986 flat angles C4'-P-C4' energy: -112.599 flat angles P-C4'-P energy: -77.382 tors. eta vs tors. theta energy: -107.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1414.838246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.838246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.838246 (E_RNA) where: Base-Base interactions energy: -899.443 where: short stacking energy: -401.754 Base-Backbone interact. energy: -2.611 local terms energy: -512.783861 where: bonds (distance) C4'-P energy: -96.132 bonds (distance) P-C4' energy: -116.037 flat angles C4'-P-C4' energy: -112.310 flat angles P-C4'-P energy: -65.379 tors. eta vs tors. theta energy: -122.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -823.075737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.075737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.075737 (E_RNA) where: Base-Base interactions energy: -462.058 where: short stacking energy: -241.681 Base-Backbone interact. energy: -0.499 local terms energy: -360.518384 where: bonds (distance) C4'-P energy: -96.189 bonds (distance) P-C4' energy: -103.634 flat angles C4'-P-C4' energy: -81.266 flat angles P-C4'-P energy: -56.245 tors. eta vs tors. theta energy: -23.185 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: 8 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -597.123614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.123614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.123614 (E_RNA) where: Base-Base interactions energy: -256.209 where: short stacking energy: -150.474 Base-Backbone interact. energy: -3.216 local terms energy: -337.698035 where: bonds (distance) C4'-P energy: -109.807 bonds (distance) P-C4' energy: -106.507 flat angles C4'-P-C4' energy: -81.480 flat angles P-C4'-P energy: -55.258 tors. eta vs tors. theta energy: 15.353 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: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -457.749457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.749457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.749457 (E_RNA) where: Base-Base interactions energy: -178.126 where: short stacking energy: -154.630 Base-Backbone interact. energy: 0.229 local terms energy: -279.852498 where: bonds (distance) C4'-P energy: -83.931 bonds (distance) P-C4' energy: -100.387 flat angles C4'-P-C4' energy: -64.746 flat angles P-C4'-P energy: -45.099 tors. eta vs tors. theta energy: 14.311 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: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2005.506886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.506886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.506886 (E_RNA) where: Base-Base interactions energy: -1338.085 where: short stacking energy: -572.348 Base-Backbone interact. energy: -1.130 local terms energy: -666.291845 where: bonds (distance) C4'-P energy: -127.364 bonds (distance) P-C4' energy: -129.921 flat angles C4'-P-C4' energy: -148.770 flat angles P-C4'-P energy: -87.850 tors. eta vs tors. theta energy: -172.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1985.539247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.539247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.539247 (E_RNA) where: Base-Base interactions energy: -1365.126 where: short stacking energy: -531.062 Base-Backbone interact. energy: 1.699 local terms energy: -622.111925 where: bonds (distance) C4'-P energy: -109.265 bonds (distance) P-C4' energy: -117.631 flat angles C4'-P-C4' energy: -130.890 flat angles P-C4'-P energy: -101.308 tors. eta vs tors. theta energy: -163.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1963.504851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.504851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.504851 (E_RNA) where: Base-Base interactions energy: -1325.879 where: short stacking energy: -561.205 Base-Backbone interact. energy: -2.982 local terms energy: -634.644432 where: bonds (distance) C4'-P energy: -121.794 bonds (distance) P-C4' energy: -123.452 flat angles C4'-P-C4' energy: -135.473 flat angles P-C4'-P energy: -82.011 tors. eta vs tors. theta energy: -171.915 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: 4, replica: 1 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1739.714152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.714152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.714152 (E_RNA) where: Base-Base interactions energy: -1179.832 where: short stacking energy: -517.401 Base-Backbone interact. energy: 0.126 local terms energy: -560.008492 where: bonds (distance) C4'-P energy: -111.332 bonds (distance) P-C4' energy: -107.312 flat angles C4'-P-C4' energy: -117.429 flat angles P-C4'-P energy: -76.702 tors. eta vs tors. theta energy: -147.234 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: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1703.406015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.406015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.406015 (E_RNA) where: Base-Base interactions energy: -1139.011 where: short stacking energy: -464.278 Base-Backbone interact. energy: -2.165 local terms energy: -562.229875 where: bonds (distance) C4'-P energy: -110.565 bonds (distance) P-C4' energy: -104.915 flat angles C4'-P-C4' energy: -125.046 flat angles P-C4'-P energy: -78.186 tors. eta vs tors. theta energy: -143.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1483.482895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.482895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.482895 (E_RNA) where: Base-Base interactions energy: -957.183 where: short stacking energy: -414.460 Base-Backbone interact. energy: 0.639 local terms energy: -526.939175 where: bonds (distance) C4'-P energy: -103.581 bonds (distance) P-C4' energy: -109.498 flat angles C4'-P-C4' energy: -117.764 flat angles P-C4'-P energy: -83.719 tors. eta vs tors. theta energy: -112.378 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: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1332.744048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.744048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.744048 (E_RNA) where: Base-Base interactions energy: -842.450 where: short stacking energy: -376.453 Base-Backbone interact. energy: -1.227 local terms energy: -489.066208 where: bonds (distance) C4'-P energy: -113.285 bonds (distance) P-C4' energy: -106.486 flat angles C4'-P-C4' energy: -113.667 flat angles P-C4'-P energy: -54.374 tors. eta vs tors. theta energy: -101.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -918.279538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.279538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.279538 (E_RNA) where: Base-Base interactions energy: -531.471 where: short stacking energy: -228.314 Base-Backbone interact. energy: 2.964 local terms energy: -389.772914 where: bonds (distance) C4'-P energy: -108.832 bonds (distance) P-C4' energy: -98.127 flat angles C4'-P-C4' energy: -104.572 flat angles P-C4'-P energy: -57.360 tors. eta vs tors. theta energy: -20.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -573.287638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.287638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.287638 (E_RNA) where: Base-Base interactions energy: -266.820 where: short stacking energy: -170.577 Base-Backbone interact. energy: -0.591 local terms energy: -305.876082 where: bonds (distance) C4'-P energy: -91.563 bonds (distance) P-C4' energy: -80.667 flat angles C4'-P-C4' energy: -81.528 flat angles P-C4'-P energy: -68.730 tors. eta vs tors. theta energy: 16.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -490.815952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.815952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.815952 (E_RNA) where: Base-Base interactions energy: -174.332 where: short stacking energy: -124.499 Base-Backbone interact. energy: 3.677 local terms energy: -320.161559 where: bonds (distance) C4'-P energy: -91.385 bonds (distance) P-C4' energy: -122.086 flat angles C4'-P-C4' energy: -77.546 flat angles P-C4'-P energy: -52.050 tors. eta vs tors. theta energy: 22.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2023.291098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.291098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.291098 (E_RNA) where: Base-Base interactions energy: -1398.718 where: short stacking energy: -560.786 Base-Backbone interact. energy: -4.047 local terms energy: -620.526631 where: bonds (distance) C4'-P energy: -120.958 bonds (distance) P-C4' energy: -120.780 flat angles C4'-P-C4' energy: -120.466 flat angles P-C4'-P energy: -83.756 tors. eta vs tors. theta energy: -174.567 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: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1952.857518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.857518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.857518 (E_RNA) where: Base-Base interactions energy: -1317.263 where: short stacking energy: -539.532 Base-Backbone interact. energy: -6.008 local terms energy: -629.586756 where: bonds (distance) C4'-P energy: -110.176 bonds (distance) P-C4' energy: -124.996 flat angles C4'-P-C4' energy: -143.679 flat angles P-C4'-P energy: -88.873 tors. eta vs tors. theta energy: -161.863 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: 3, replica: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1948.944224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.944224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.944224 (E_RNA) where: Base-Base interactions energy: -1330.449 where: short stacking energy: -539.331 Base-Backbone interact. energy: -1.930 local terms energy: -616.565270 where: bonds (distance) C4'-P energy: -116.314 bonds (distance) P-C4' energy: -109.641 flat angles C4'-P-C4' energy: -128.510 flat angles P-C4'-P energy: -87.886 tors. eta vs tors. theta energy: -174.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1795.672452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.672452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.672452 (E_RNA) where: Base-Base interactions energy: -1198.057 where: short stacking energy: -523.546 Base-Backbone interact. energy: 4.340 local terms energy: -601.954927 where: bonds (distance) C4'-P energy: -121.608 bonds (distance) P-C4' energy: -128.146 flat angles C4'-P-C4' energy: -131.860 flat angles P-C4'-P energy: -66.946 tors. eta vs tors. theta energy: -153.394 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: 5, replica: 10 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1657.497041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.497041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.497041 (E_RNA) where: Base-Base interactions energy: -1127.347 where: short stacking energy: -478.163 Base-Backbone interact. energy: -1.545 local terms energy: -528.604278 where: bonds (distance) C4'-P energy: -112.333 bonds (distance) P-C4' energy: -96.817 flat angles C4'-P-C4' energy: -136.206 flat angles P-C4'-P energy: -61.620 tors. eta vs tors. theta energy: -121.628 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: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1526.920680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.920680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.920680 (E_RNA) where: Base-Base interactions energy: -958.858 where: short stacking energy: -466.702 Base-Backbone interact. energy: -2.237 local terms energy: -565.825472 where: bonds (distance) C4'-P energy: -119.930 bonds (distance) P-C4' energy: -98.023 flat angles C4'-P-C4' energy: -126.645 flat angles P-C4'-P energy: -87.250 tors. eta vs tors. theta energy: -133.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1384.625619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.625619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.625619 (E_RNA) where: Base-Base interactions energy: -868.888 where: short stacking energy: -392.562 Base-Backbone interact. energy: -1.657 local terms energy: -514.080897 where: bonds (distance) C4'-P energy: -101.372 bonds (distance) P-C4' energy: -118.668 flat angles C4'-P-C4' energy: -119.875 flat angles P-C4'-P energy: -68.833 tors. eta vs tors. theta energy: -105.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -905.061366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.061366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.061366 (E_RNA) where: Base-Base interactions energy: -465.068 where: short stacking energy: -263.711 Base-Backbone interact. energy: -3.025 local terms energy: -436.967774 where: bonds (distance) C4'-P energy: -115.024 bonds (distance) P-C4' energy: -94.088 flat angles C4'-P-C4' energy: -101.725 flat angles P-C4'-P energy: -72.723 tors. eta vs tors. theta energy: -53.407 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: 9, replica: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -626.317306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.317306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.317306 (E_RNA) where: Base-Base interactions energy: -251.584 where: short stacking energy: -169.874 Base-Backbone interact. energy: -0.543 local terms energy: -374.190281 where: bonds (distance) C4'-P energy: -101.719 bonds (distance) P-C4' energy: -110.711 flat angles C4'-P-C4' energy: -88.042 flat angles P-C4'-P energy: -53.990 tors. eta vs tors. theta energy: -19.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -472.569498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.569498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.569498 (E_RNA) where: Base-Base interactions energy: -193.959 where: short stacking energy: -140.586 Base-Backbone interact. energy: -0.254 local terms energy: -278.356491 where: bonds (distance) C4'-P energy: -105.287 bonds (distance) P-C4' energy: -83.015 flat angles C4'-P-C4' energy: -84.723 flat angles P-C4'-P energy: -24.332 tors. eta vs tors. theta energy: 18.999 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: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2068.718495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.718495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.718495 (E_RNA) where: Base-Base interactions energy: -1402.767 where: short stacking energy: -579.273 Base-Backbone interact. energy: -3.257 local terms energy: -662.694363 where: bonds (distance) C4'-P energy: -112.745 bonds (distance) P-C4' energy: -122.982 flat angles C4'-P-C4' energy: -136.475 flat angles P-C4'-P energy: -104.358 tors. eta vs tors. theta energy: -186.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1962.933829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.933829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.933829 (E_RNA) where: Base-Base interactions energy: -1348.337 where: short stacking energy: -558.770 Base-Backbone interact. energy: 0.260 local terms energy: -614.857120 where: bonds (distance) C4'-P energy: -118.391 bonds (distance) P-C4' energy: -116.003 flat angles C4'-P-C4' energy: -130.391 flat angles P-C4'-P energy: -86.797 tors. eta vs tors. theta energy: -163.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1885.800839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.800839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.800839 (E_RNA) where: Base-Base interactions energy: -1291.899 where: short stacking energy: -544.656 Base-Backbone interact. energy: -2.433 local terms energy: -591.469093 where: bonds (distance) C4'-P energy: -96.163 bonds (distance) P-C4' energy: -118.907 flat angles C4'-P-C4' energy: -125.379 flat angles P-C4'-P energy: -88.715 tors. eta vs tors. theta energy: -162.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1784.383838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.383838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.383838 (E_RNA) where: Base-Base interactions energy: -1212.974 where: short stacking energy: -522.785 Base-Backbone interact. energy: -0.593 local terms energy: -570.817239 where: bonds (distance) C4'-P energy: -114.651 bonds (distance) P-C4' energy: -110.127 flat angles C4'-P-C4' energy: -122.716 flat angles P-C4'-P energy: -78.869 tors. eta vs tors. theta energy: -144.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1687.459212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.459212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.459212 (E_RNA) where: Base-Base interactions energy: -1114.771 where: short stacking energy: -465.572 Base-Backbone interact. energy: 0.926 local terms energy: -573.614174 where: bonds (distance) C4'-P energy: -105.978 bonds (distance) P-C4' energy: -127.454 flat angles C4'-P-C4' energy: -140.886 flat angles P-C4'-P energy: -61.837 tors. eta vs tors. theta energy: -137.460 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: 173 Temperature: 1.150000 Total energy: -1496.998167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.998167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.998167 (E_RNA) where: Base-Base interactions energy: -995.795 where: short stacking energy: -436.374 Base-Backbone interact. energy: 1.686 local terms energy: -502.889786 where: bonds (distance) C4'-P energy: -104.567 bonds (distance) P-C4' energy: -111.500 flat angles C4'-P-C4' energy: -103.605 flat angles P-C4'-P energy: -57.721 tors. eta vs tors. theta energy: -125.497 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: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1380.131771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.131771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.131771 (E_RNA) where: Base-Base interactions energy: -894.940 where: short stacking energy: -374.013 Base-Backbone interact. energy: 0.581 local terms energy: -485.773729 where: bonds (distance) C4'-P energy: -94.546 bonds (distance) P-C4' energy: -113.410 flat angles C4'-P-C4' energy: -101.926 flat angles P-C4'-P energy: -78.075 tors. eta vs tors. theta energy: -97.817 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: 6 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -860.711764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.711764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.711764 (E_RNA) where: Base-Base interactions energy: -491.396 where: short stacking energy: -231.286 Base-Backbone interact. energy: -2.092 local terms energy: -367.223705 where: bonds (distance) C4'-P energy: -106.019 bonds (distance) P-C4' energy: -94.229 flat angles C4'-P-C4' energy: -92.319 flat angles P-C4'-P energy: -63.277 tors. eta vs tors. theta energy: -11.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -575.558894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.558894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.558894 (E_RNA) where: Base-Base interactions energy: -239.638 where: short stacking energy: -150.844 Base-Backbone interact. energy: -0.580 local terms energy: -335.341172 where: bonds (distance) C4'-P energy: -105.704 bonds (distance) P-C4' energy: -102.063 flat angles C4'-P-C4' energy: -75.343 flat angles P-C4'-P energy: -57.681 tors. eta vs tors. theta energy: 5.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -461.385506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.385506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.385506 (E_RNA) where: Base-Base interactions energy: -138.516 where: short stacking energy: -108.473 Base-Backbone interact. energy: 5.446 local terms energy: -328.314993 where: bonds (distance) C4'-P energy: -82.528 bonds (distance) P-C4' energy: -112.172 flat angles C4'-P-C4' energy: -81.705 flat angles P-C4'-P energy: -69.329 tors. eta vs tors. theta energy: 17.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2063.494037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.494037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.494037 (E_RNA) where: Base-Base interactions energy: -1415.802 where: short stacking energy: -586.507 Base-Backbone interact. energy: -1.334 local terms energy: -646.358403 where: bonds (distance) C4'-P energy: -130.466 bonds (distance) P-C4' energy: -108.892 flat angles C4'-P-C4' energy: -127.485 flat angles P-C4'-P energy: -98.153 tors. eta vs tors. theta energy: -181.362 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: 7 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1968.756090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.756090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.756090 (E_RNA) where: Base-Base interactions energy: -1369.580 where: short stacking energy: -543.644 Base-Backbone interact. energy: -0.746 local terms energy: -598.430156 where: bonds (distance) C4'-P energy: -98.055 bonds (distance) P-C4' energy: -127.140 flat angles C4'-P-C4' energy: -131.901 flat angles P-C4'-P energy: -78.962 tors. eta vs tors. theta energy: -162.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1911.075053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.075053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.075053 (E_RNA) where: Base-Base interactions energy: -1289.833 where: short stacking energy: -560.913 Base-Backbone interact. energy: -3.863 local terms energy: -617.379728 where: bonds (distance) C4'-P energy: -115.774 bonds (distance) P-C4' energy: -105.140 flat angles C4'-P-C4' energy: -143.231 flat angles P-C4'-P energy: -87.014 tors. eta vs tors. theta energy: -166.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1809.245483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.245483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.245483 (E_RNA) where: Base-Base interactions energy: -1226.006 where: short stacking energy: -505.097 Base-Backbone interact. energy: 2.097 local terms energy: -585.337149 where: bonds (distance) C4'-P energy: -94.029 bonds (distance) P-C4' energy: -124.181 flat angles C4'-P-C4' energy: -122.255 flat angles P-C4'-P energy: -91.582 tors. eta vs tors. theta energy: -153.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1698.263103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.263103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.263103 (E_RNA) where: Base-Base interactions energy: -1129.092 where: short stacking energy: -469.345 Base-Backbone interact. energy: 5.118 local terms energy: -574.289308 where: bonds (distance) C4'-P energy: -109.719 bonds (distance) P-C4' energy: -120.847 flat angles C4'-P-C4' energy: -129.891 flat angles P-C4'-P energy: -84.772 tors. eta vs tors. theta energy: -129.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1499.522733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.522733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.522733 (E_RNA) where: Base-Base interactions energy: -951.531 where: short stacking energy: -429.974 Base-Backbone interact. energy: -1.080 local terms energy: -546.911625 where: bonds (distance) C4'-P energy: -110.046 bonds (distance) P-C4' energy: -111.157 flat angles C4'-P-C4' energy: -120.221 flat angles P-C4'-P energy: -77.216 tors. eta vs tors. theta energy: -128.271 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: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1387.920946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.920946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.920946 (E_RNA) where: Base-Base interactions energy: -909.220 where: short stacking energy: -414.772 Base-Backbone interact. energy: 2.757 local terms energy: -481.457948 where: bonds (distance) C4'-P energy: -86.606 bonds (distance) P-C4' energy: -110.871 flat angles C4'-P-C4' energy: -100.483 flat angles P-C4'-P energy: -70.827 tors. eta vs tors. theta energy: -112.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -837.531556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.531556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.531556 (E_RNA) where: Base-Base interactions energy: -476.783 where: short stacking energy: -252.466 Base-Backbone interact. energy: 9.012 local terms energy: -369.759706 where: bonds (distance) C4'-P energy: -106.334 bonds (distance) P-C4' energy: -88.177 flat angles C4'-P-C4' energy: -98.812 flat angles P-C4'-P energy: -63.501 tors. eta vs tors. theta energy: -12.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -618.726409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.726409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.726409 (E_RNA) where: Base-Base interactions energy: -277.898 where: short stacking energy: -165.247 Base-Backbone interact. energy: 6.085 local terms energy: -346.913833 where: bonds (distance) C4'-P energy: -95.377 bonds (distance) P-C4' energy: -96.226 flat angles C4'-P-C4' energy: -94.701 flat angles P-C4'-P energy: -71.939 tors. eta vs tors. theta energy: 11.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -483.496819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.496819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.496819 (E_RNA) where: Base-Base interactions energy: -147.633 where: short stacking energy: -125.590 Base-Backbone interact. energy: -0.903 local terms energy: -334.961333 where: bonds (distance) C4'-P energy: -91.230 bonds (distance) P-C4' energy: -114.561 flat angles C4'-P-C4' energy: -101.266 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: 21.465 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: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2050.742099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.742099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.742099 (E_RNA) where: Base-Base interactions energy: -1393.680 where: short stacking energy: -562.727 Base-Backbone interact. energy: 2.404 local terms energy: -659.466032 where: bonds (distance) C4'-P energy: -117.513 bonds (distance) P-C4' energy: -130.986 flat angles C4'-P-C4' energy: -139.414 flat angles P-C4'-P energy: -100.034 tors. eta vs tors. theta energy: -171.520 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: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1948.001385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.001385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.001385 (E_RNA) where: Base-Base interactions energy: -1308.335 where: short stacking energy: -579.873 Base-Backbone interact. energy: -2.724 local terms energy: -636.942149 where: bonds (distance) C4'-P energy: -126.184 bonds (distance) P-C4' energy: -105.944 flat angles C4'-P-C4' energy: -144.666 flat angles P-C4'-P energy: -86.105 tors. eta vs tors. theta energy: -174.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1910.605636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.605636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.605636 (E_RNA) where: Base-Base interactions energy: -1311.265 where: short stacking energy: -569.932 Base-Backbone interact. energy: -2.573 local terms energy: -596.768363 where: bonds (distance) C4'-P energy: -105.204 bonds (distance) P-C4' energy: -123.089 flat angles C4'-P-C4' energy: -127.258 flat angles P-C4'-P energy: -80.417 tors. eta vs tors. theta energy: -160.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1809.482148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.482148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.482148 (E_RNA) where: Base-Base interactions energy: -1212.221 where: short stacking energy: -512.347 Base-Backbone interact. energy: -4.249 local terms energy: -593.012067 where: bonds (distance) C4'-P energy: -107.952 bonds (distance) P-C4' energy: -120.212 flat angles C4'-P-C4' energy: -130.228 flat angles P-C4'-P energy: -68.241 tors. eta vs tors. theta energy: -166.378 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: 10 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1738.270229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.270229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.270229 (E_RNA) where: Base-Base interactions energy: -1139.301 where: short stacking energy: -464.454 Base-Backbone interact. energy: -4.878 local terms energy: -594.091596 where: bonds (distance) C4'-P energy: -122.580 bonds (distance) P-C4' energy: -119.603 flat angles C4'-P-C4' energy: -118.323 flat angles P-C4'-P energy: -86.008 tors. eta vs tors. theta energy: -147.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1456.359606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.359606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.359606 (E_RNA) where: Base-Base interactions energy: -923.852 where: short stacking energy: -461.697 Base-Backbone interact. energy: 3.743 local terms energy: -536.251253 where: bonds (distance) C4'-P energy: -110.126 bonds (distance) P-C4' energy: -105.546 flat angles C4'-P-C4' energy: -110.869 flat angles P-C4'-P energy: -77.039 tors. eta vs tors. theta energy: -132.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1393.678263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.678263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.678263 (E_RNA) where: Base-Base interactions energy: -884.904 where: short stacking energy: -408.064 Base-Backbone interact. energy: -1.304 local terms energy: -507.469868 where: bonds (distance) C4'-P energy: -110.050 bonds (distance) P-C4' energy: -116.301 flat angles C4'-P-C4' energy: -103.825 flat angles P-C4'-P energy: -63.350 tors. eta vs tors. theta energy: -113.944 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: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -861.590827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.590827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.590827 (E_RNA) where: Base-Base interactions energy: -483.788 where: short stacking energy: -231.557 Base-Backbone interact. energy: 0.266 local terms energy: -378.068655 where: bonds (distance) C4'-P energy: -98.630 bonds (distance) P-C4' energy: -116.522 flat angles C4'-P-C4' energy: -77.149 flat angles P-C4'-P energy: -51.741 tors. eta vs tors. theta energy: -34.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -649.470268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.470268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.470268 (E_RNA) where: Base-Base interactions energy: -302.897 where: short stacking energy: -167.397 Base-Backbone interact. energy: -2.774 local terms energy: -343.799848 where: bonds (distance) C4'-P energy: -124.186 bonds (distance) P-C4' energy: -106.138 flat angles C4'-P-C4' energy: -74.131 flat angles P-C4'-P energy: -37.043 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -466.974239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.974239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.974239 (E_RNA) where: Base-Base interactions energy: -162.998 where: short stacking energy: -118.466 Base-Backbone interact. energy: -0.847 local terms energy: -303.129341 where: bonds (distance) C4'-P energy: -102.033 bonds (distance) P-C4' energy: -104.742 flat angles C4'-P-C4' energy: -81.612 flat angles P-C4'-P energy: -38.300 tors. eta vs tors. theta energy: 23.558 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: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2062.249834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.249834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.249834 (E_RNA) where: Base-Base interactions energy: -1394.012 where: short stacking energy: -562.722 Base-Backbone interact. energy: -0.984 local terms energy: -667.253879 where: bonds (distance) C4'-P energy: -124.269 bonds (distance) P-C4' energy: -133.399 flat angles C4'-P-C4' energy: -138.866 flat angles P-C4'-P energy: -94.017 tors. eta vs tors. theta energy: -176.703 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: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1971.280745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.280745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.280745 (E_RNA) where: Base-Base interactions energy: -1335.860 where: short stacking energy: -561.630 Base-Backbone interact. energy: -4.193 local terms energy: -631.227396 where: bonds (distance) C4'-P energy: -106.305 bonds (distance) P-C4' energy: -125.989 flat angles C4'-P-C4' energy: -137.349 flat angles P-C4'-P energy: -91.454 tors. eta vs tors. theta energy: -170.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1928.602328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.602328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.602328 (E_RNA) where: Base-Base interactions energy: -1320.920 where: short stacking energy: -540.704 Base-Backbone interact. energy: -1.403 local terms energy: -606.279545 where: bonds (distance) C4'-P energy: -108.413 bonds (distance) P-C4' energy: -119.672 flat angles C4'-P-C4' energy: -138.183 flat angles P-C4'-P energy: -76.620 tors. eta vs tors. theta energy: -163.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1875.432781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.432781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.432781 (E_RNA) where: Base-Base interactions energy: -1296.557 where: short stacking energy: -565.654 Base-Backbone interact. energy: 3.282 local terms energy: -582.158183 where: bonds (distance) C4'-P energy: -103.595 bonds (distance) P-C4' energy: -108.749 flat angles C4'-P-C4' energy: -131.641 flat angles P-C4'-P energy: -77.579 tors. eta vs tors. theta energy: -160.594 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: 10 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1760.358520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.358520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.358520 (E_RNA) where: Base-Base interactions energy: -1185.638 where: short stacking energy: -482.618 Base-Backbone interact. energy: -3.016 local terms energy: -571.704874 where: bonds (distance) C4'-P energy: -95.538 bonds (distance) P-C4' energy: -113.699 flat angles C4'-P-C4' energy: -136.444 flat angles P-C4'-P energy: -71.678 tors. eta vs tors. theta energy: -154.345 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: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1460.325881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.325881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.325881 (E_RNA) where: Base-Base interactions energy: -980.422 where: short stacking energy: -445.386 Base-Backbone interact. energy: -3.512 local terms energy: -476.391668 where: bonds (distance) C4'-P energy: -79.694 bonds (distance) P-C4' energy: -84.432 flat angles C4'-P-C4' energy: -116.799 flat angles P-C4'-P energy: -60.159 tors. eta vs tors. theta energy: -135.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1383.263104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.263104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.263104 (E_RNA) where: Base-Base interactions energy: -877.988 where: short stacking energy: -401.970 Base-Backbone interact. energy: -3.951 local terms energy: -501.323566 where: bonds (distance) C4'-P energy: -108.198 bonds (distance) P-C4' energy: -104.222 flat angles C4'-P-C4' energy: -118.978 flat angles P-C4'-P energy: -65.276 tors. eta vs tors. theta energy: -104.649 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: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -807.038575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.038575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.038575 (E_RNA) where: Base-Base interactions energy: -444.611 where: short stacking energy: -226.146 Base-Backbone interact. energy: -1.290 local terms energy: -361.137338 where: bonds (distance) C4'-P energy: -93.181 bonds (distance) P-C4' energy: -106.028 flat angles C4'-P-C4' energy: -84.727 flat angles P-C4'-P energy: -53.959 tors. eta vs tors. theta energy: -23.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -650.519850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.519850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.519850 (E_RNA) where: Base-Base interactions energy: -277.820 where: short stacking energy: -168.078 Base-Backbone interact. energy: 4.552 local terms energy: -377.252546 where: bonds (distance) C4'-P energy: -124.819 bonds (distance) P-C4' energy: -102.559 flat angles C4'-P-C4' energy: -96.221 flat angles P-C4'-P energy: -57.242 tors. eta vs tors. theta energy: 3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -476.783781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.783781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.783781 (E_RNA) where: Base-Base interactions energy: -213.537 where: short stacking energy: -143.771 Base-Backbone interact. energy: 3.610 local terms energy: -266.857407 where: bonds (distance) C4'-P energy: -98.360 bonds (distance) P-C4' energy: -96.038 flat angles C4'-P-C4' energy: -79.597 flat angles P-C4'-P energy: -18.886 tors. eta vs tors. theta energy: 26.024 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: 177 Temperature: 0.900000 Total energy: -2053.553820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.553820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.553820 (E_RNA) where: Base-Base interactions energy: -1395.597 where: short stacking energy: -549.660 Base-Backbone interact. energy: -1.548 local terms energy: -656.408719 where: bonds (distance) C4'-P energy: -120.853 bonds (distance) P-C4' energy: -123.599 flat angles C4'-P-C4' energy: -138.817 flat angles P-C4'-P energy: -97.098 tors. eta vs tors. theta energy: -176.041 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: 7 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2022.967978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.967978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.967978 (E_RNA) where: Base-Base interactions energy: -1365.468 where: short stacking energy: -594.504 Base-Backbone interact. energy: -2.999 local terms energy: -654.500296 where: bonds (distance) C4'-P energy: -104.159 bonds (distance) P-C4' energy: -131.202 flat angles C4'-P-C4' energy: -133.624 flat angles P-C4'-P energy: -99.883 tors. eta vs tors. theta energy: -185.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1933.458539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.458539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.458539 (E_RNA) where: Base-Base interactions energy: -1328.015 where: short stacking energy: -579.269 Base-Backbone interact. energy: -2.032 local terms energy: -603.411770 where: bonds (distance) C4'-P energy: -91.703 bonds (distance) P-C4' energy: -111.170 flat angles C4'-P-C4' energy: -131.387 flat angles P-C4'-P energy: -91.533 tors. eta vs tors. theta energy: -177.619 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: 1 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1863.858625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.858625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.858625 (E_RNA) where: Base-Base interactions energy: -1246.115 where: short stacking energy: -536.746 Base-Backbone interact. energy: -5.425 local terms energy: -612.318376 where: bonds (distance) C4'-P energy: -107.360 bonds (distance) P-C4' energy: -116.565 flat angles C4'-P-C4' energy: -123.545 flat angles P-C4'-P energy: -103.320 tors. eta vs tors. theta energy: -161.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1721.728811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.728811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.728811 (E_RNA) where: Base-Base interactions energy: -1143.508 where: short stacking energy: -490.617 Base-Backbone interact. energy: 5.960 local terms energy: -584.180960 where: bonds (distance) C4'-P energy: -110.024 bonds (distance) P-C4' energy: -110.070 flat angles C4'-P-C4' energy: -130.144 flat angles P-C4'-P energy: -81.492 tors. eta vs tors. theta energy: -152.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1398.500529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.500529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.500529 (E_RNA) where: Base-Base interactions energy: -908.398 where: short stacking energy: -406.623 Base-Backbone interact. energy: -1.814 local terms energy: -488.288611 where: bonds (distance) C4'-P energy: -99.810 bonds (distance) P-C4' energy: -98.479 flat angles C4'-P-C4' energy: -108.485 flat angles P-C4'-P energy: -79.062 tors. eta vs tors. theta energy: -102.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1376.512574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.512574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.512574 (E_RNA) where: Base-Base interactions energy: -864.707 where: short stacking energy: -389.119 Base-Backbone interact. energy: 0.327 local terms energy: -512.132212 where: bonds (distance) C4'-P energy: -114.257 bonds (distance) P-C4' energy: -96.516 flat angles C4'-P-C4' energy: -116.932 flat angles P-C4'-P energy: -70.340 tors. eta vs tors. theta energy: -114.087 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: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -815.758053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.758053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.758053 (E_RNA) where: Base-Base interactions energy: -457.465 where: short stacking energy: -234.362 Base-Backbone interact. energy: 1.055 local terms energy: -359.348520 where: bonds (distance) C4'-P energy: -96.069 bonds (distance) P-C4' energy: -101.675 flat angles C4'-P-C4' energy: -88.158 flat angles P-C4'-P energy: -54.318 tors. eta vs tors. theta energy: -19.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -684.295256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.295256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.295256 (E_RNA) where: Base-Base interactions energy: -329.194 where: short stacking energy: -176.765 Base-Backbone interact. energy: -3.708 local terms energy: -351.393911 where: bonds (distance) C4'-P energy: -105.161 bonds (distance) P-C4' energy: -97.092 flat angles C4'-P-C4' energy: -87.370 flat angles P-C4'-P energy: -50.677 tors. eta vs tors. theta energy: -11.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -485.071187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.071187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.071187 (E_RNA) where: Base-Base interactions energy: -183.306 where: short stacking energy: -115.188 Base-Backbone interact. energy: 0.018 local terms energy: -301.783599 where: bonds (distance) C4'-P energy: -96.089 bonds (distance) P-C4' energy: -101.689 flat angles C4'-P-C4' energy: -91.341 flat angles P-C4'-P energy: -42.304 tors. eta vs tors. theta energy: 29.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2049.735405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.735405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.735405 (E_RNA) where: Base-Base interactions energy: -1366.211 where: short stacking energy: -560.105 Base-Backbone interact. energy: -3.045 local terms energy: -680.479327 where: bonds (distance) C4'-P energy: -128.252 bonds (distance) P-C4' energy: -137.055 flat angles C4'-P-C4' energy: -141.952 flat angles P-C4'-P energy: -95.932 tors. eta vs tors. theta energy: -177.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2010.656327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.656327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.656327 (E_RNA) where: Base-Base interactions energy: -1372.341 where: short stacking energy: -547.878 Base-Backbone interact. energy: -3.252 local terms energy: -635.063677 where: bonds (distance) C4'-P energy: -111.680 bonds (distance) P-C4' energy: -127.165 flat angles C4'-P-C4' energy: -123.700 flat angles P-C4'-P energy: -92.956 tors. eta vs tors. theta energy: -179.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1934.330439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.330439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.330439 (E_RNA) where: Base-Base interactions energy: -1307.999 where: short stacking energy: -548.978 Base-Backbone interact. energy: 2.214 local terms energy: -628.545572 where: bonds (distance) C4'-P energy: -119.718 bonds (distance) P-C4' energy: -124.818 flat angles C4'-P-C4' energy: -134.056 flat angles P-C4'-P energy: -82.907 tors. eta vs tors. theta energy: -167.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1847.747454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.747454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.747454 (E_RNA) where: Base-Base interactions energy: -1257.416 where: short stacking energy: -564.090 Base-Backbone interact. energy: 0.522 local terms energy: -590.853317 where: bonds (distance) C4'-P energy: -112.616 bonds (distance) P-C4' energy: -112.607 flat angles C4'-P-C4' energy: -128.819 flat angles P-C4'-P energy: -64.759 tors. eta vs tors. theta energy: -172.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1655.237357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.237357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.237357 (E_RNA) where: Base-Base interactions energy: -1100.491 where: short stacking energy: -451.894 Base-Backbone interact. energy: 1.604 local terms energy: -556.349768 where: bonds (distance) C4'-P energy: -120.294 bonds (distance) P-C4' energy: -127.649 flat angles C4'-P-C4' energy: -117.179 flat angles P-C4'-P energy: -68.412 tors. eta vs tors. theta energy: -122.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1385.087284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.087284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.087284 (E_RNA) where: Base-Base interactions energy: -874.430 where: short stacking energy: -400.221 Base-Backbone interact. energy: 1.664 local terms energy: -512.321968 where: bonds (distance) C4'-P energy: -89.308 bonds (distance) P-C4' energy: -114.321 flat angles C4'-P-C4' energy: -132.387 flat angles P-C4'-P energy: -79.959 tors. eta vs tors. theta energy: -96.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1340.853635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.853635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.853635 (E_RNA) where: Base-Base interactions energy: -841.844 where: short stacking energy: -373.465 Base-Backbone interact. energy: 1.586 local terms energy: -500.595279 where: bonds (distance) C4'-P energy: -110.620 bonds (distance) P-C4' energy: -114.453 flat angles C4'-P-C4' energy: -111.528 flat angles P-C4'-P energy: -66.774 tors. eta vs tors. theta energy: -97.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -865.925458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.925458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.925458 (E_RNA) where: Base-Base interactions energy: -492.715 where: short stacking energy: -245.036 Base-Backbone interact. energy: -1.535 local terms energy: -371.676130 where: bonds (distance) C4'-P energy: -102.791 bonds (distance) P-C4' energy: -84.339 flat angles C4'-P-C4' energy: -81.015 flat angles P-C4'-P energy: -73.472 tors. eta vs tors. theta energy: -30.060 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: 9, replica: 8 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -731.140525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.140525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.140525 (E_RNA) where: Base-Base interactions energy: -352.305 where: short stacking energy: -212.075 Base-Backbone interact. energy: -3.505 local terms energy: -375.330730 where: bonds (distance) C4'-P energy: -113.621 bonds (distance) P-C4' energy: -94.071 flat angles C4'-P-C4' energy: -99.539 flat angles P-C4'-P energy: -55.410 tors. eta vs tors. theta energy: -12.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -441.137926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.137926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.137926 (E_RNA) where: Base-Base interactions energy: -141.249 where: short stacking energy: -96.402 Base-Backbone interact. energy: -1.755 local terms energy: -298.134660 where: bonds (distance) C4'-P energy: -123.978 bonds (distance) P-C4' energy: -98.376 flat angles C4'-P-C4' energy: -87.924 flat angles P-C4'-P energy: -39.660 tors. eta vs tors. theta energy: 51.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2092.883225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.883225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.883225 (E_RNA) where: Base-Base interactions energy: -1418.140 where: short stacking energy: -589.231 Base-Backbone interact. energy: -3.022 local terms energy: -671.721141 where: bonds (distance) C4'-P energy: -120.929 bonds (distance) P-C4' energy: -127.795 flat angles C4'-P-C4' energy: -144.493 flat angles P-C4'-P energy: -90.455 tors. eta vs tors. theta energy: -188.049 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: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2014.898163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.898163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.898163 (E_RNA) where: Base-Base interactions energy: -1382.621 where: short stacking energy: -551.577 Base-Backbone interact. energy: 1.487 local terms energy: -633.764032 where: bonds (distance) C4'-P energy: -105.739 bonds (distance) P-C4' energy: -120.142 flat angles C4'-P-C4' energy: -145.756 flat angles P-C4'-P energy: -91.085 tors. eta vs tors. theta energy: -171.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1928.668710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.668710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.668710 (E_RNA) where: Base-Base interactions energy: -1320.193 where: short stacking energy: -547.558 Base-Backbone interact. energy: -2.650 local terms energy: -605.825129 where: bonds (distance) C4'-P energy: -95.358 bonds (distance) P-C4' energy: -130.748 flat angles C4'-P-C4' energy: -128.841 flat angles P-C4'-P energy: -91.641 tors. eta vs tors. theta energy: -159.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1786.005320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.005320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.005320 (E_RNA) where: Base-Base interactions energy: -1214.269 where: short stacking energy: -513.724 Base-Backbone interact. energy: -2.533 local terms energy: -569.203043 where: bonds (distance) C4'-P energy: -112.555 bonds (distance) P-C4' energy: -114.293 flat angles C4'-P-C4' energy: -128.908 flat angles P-C4'-P energy: -70.499 tors. eta vs tors. theta energy: -142.947 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: 10 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1625.038042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.038042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.038042 (E_RNA) where: Base-Base interactions energy: -1062.473 where: short stacking energy: -468.415 Base-Backbone interact. energy: -0.256 local terms energy: -562.308493 where: bonds (distance) C4'-P energy: -124.671 bonds (distance) P-C4' energy: -111.339 flat angles C4'-P-C4' energy: -116.337 flat angles P-C4'-P energy: -73.443 tors. eta vs tors. theta energy: -136.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1441.858301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.858301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.858301 (E_RNA) where: Base-Base interactions energy: -929.275 where: short stacking energy: -436.177 Base-Backbone interact. energy: -2.486 local terms energy: -510.097014 where: bonds (distance) C4'-P energy: -91.532 bonds (distance) P-C4' energy: -113.972 flat angles C4'-P-C4' energy: -112.068 flat angles P-C4'-P energy: -78.058 tors. eta vs tors. theta energy: -114.468 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: 7, replica: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1321.036489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.036489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.036489 (E_RNA) where: Base-Base interactions energy: -842.017 where: short stacking energy: -367.365 Base-Backbone interact. energy: -2.561 local terms energy: -476.459001 where: bonds (distance) C4'-P energy: -110.144 bonds (distance) P-C4' energy: -93.960 flat angles C4'-P-C4' energy: -107.876 flat angles P-C4'-P energy: -70.698 tors. eta vs tors. theta energy: -93.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1006.366125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.366125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.366125 (E_RNA) where: Base-Base interactions energy: -613.275 where: short stacking energy: -304.876 Base-Backbone interact. energy: 0.211 local terms energy: -393.302152 where: bonds (distance) C4'-P energy: -72.077 bonds (distance) P-C4' energy: -97.734 flat angles C4'-P-C4' energy: -110.059 flat angles P-C4'-P energy: -63.285 tors. eta vs tors. theta energy: -50.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -676.896952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.896952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.896952 (E_RNA) where: Base-Base interactions energy: -291.370 where: short stacking energy: -162.724 Base-Backbone interact. energy: 3.788 local terms energy: -389.315093 where: bonds (distance) C4'-P energy: -109.632 bonds (distance) P-C4' energy: -120.262 flat angles C4'-P-C4' energy: -88.263 flat angles P-C4'-P energy: -63.515 tors. eta vs tors. theta energy: -7.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -487.537145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.537145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.537145 (E_RNA) where: Base-Base interactions energy: -174.809 where: short stacking energy: -147.160 Base-Backbone interact. energy: 1.824 local terms energy: -314.551558 where: bonds (distance) C4'-P energy: -92.650 bonds (distance) P-C4' energy: -112.515 flat angles C4'-P-C4' energy: -83.183 flat angles P-C4'-P energy: -54.862 tors. eta vs tors. theta energy: 28.658 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: 7 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2075.791921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.791921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.791921 (E_RNA) where: Base-Base interactions energy: -1425.531 where: short stacking energy: -602.359 Base-Backbone interact. energy: 0.361 local terms energy: -650.621953 where: bonds (distance) C4'-P energy: -107.660 bonds (distance) P-C4' energy: -120.650 flat angles C4'-P-C4' energy: -133.897 flat angles P-C4'-P energy: -100.999 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: 2, replica: 3 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2014.998398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.998398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.998398 (E_RNA) where: Base-Base interactions energy: -1410.932 where: short stacking energy: -581.500 Base-Backbone interact. energy: 3.276 local terms energy: -607.342535 where: bonds (distance) C4'-P energy: -104.285 bonds (distance) P-C4' energy: -125.627 flat angles C4'-P-C4' energy: -121.342 flat angles P-C4'-P energy: -94.113 tors. eta vs tors. theta energy: -161.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1931.113198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.113198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.113198 (E_RNA) where: Base-Base interactions energy: -1334.606 where: short stacking energy: -567.974 Base-Backbone interact. energy: -1.699 local terms energy: -594.808191 where: bonds (distance) C4'-P energy: -97.262 bonds (distance) P-C4' energy: -122.634 flat angles C4'-P-C4' energy: -123.268 flat angles P-C4'-P energy: -82.645 tors. eta vs tors. theta energy: -168.999 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: 4, replica: 5 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1784.935334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.935334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.935334 (E_RNA) where: Base-Base interactions energy: -1180.758 where: short stacking energy: -505.650 Base-Backbone interact. energy: -2.006 local terms energy: -602.170414 where: bonds (distance) C4'-P energy: -115.576 bonds (distance) P-C4' energy: -116.702 flat angles C4'-P-C4' energy: -117.542 flat angles P-C4'-P energy: -98.748 tors. eta vs tors. theta energy: -153.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1614.378211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.378211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.378211 (E_RNA) where: Base-Base interactions energy: -1072.255 where: short stacking energy: -497.440 Base-Backbone interact. energy: 5.518 local terms energy: -547.641112 where: bonds (distance) C4'-P energy: -100.484 bonds (distance) P-C4' energy: -118.570 flat angles C4'-P-C4' energy: -106.329 flat angles P-C4'-P energy: -83.932 tors. eta vs tors. theta energy: -138.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1431.640745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.640745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.640745 (E_RNA) where: Base-Base interactions energy: -931.479 where: short stacking energy: -429.190 Base-Backbone interact. energy: 5.408 local terms energy: -505.569793 where: bonds (distance) C4'-P energy: -99.244 bonds (distance) P-C4' energy: -112.646 flat angles C4'-P-C4' energy: -110.870 flat angles P-C4'-P energy: -76.746 tors. eta vs tors. theta energy: -106.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1290.475936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.475936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.475936 (E_RNA) where: Base-Base interactions energy: -826.064 where: short stacking energy: -356.077 Base-Backbone interact. energy: 2.067 local terms energy: -466.478201 where: bonds (distance) C4'-P energy: -92.869 bonds (distance) P-C4' energy: -109.870 flat angles C4'-P-C4' energy: -107.051 flat angles P-C4'-P energy: -80.486 tors. eta vs tors. theta energy: -76.203 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: 8, replica: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -931.726202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.726202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.726202 (E_RNA) where: Base-Base interactions energy: -528.720 where: short stacking energy: -254.476 Base-Backbone interact. energy: 7.815 local terms energy: -410.820535 where: bonds (distance) C4'-P energy: -101.703 bonds (distance) P-C4' energy: -116.082 flat angles C4'-P-C4' energy: -85.108 flat angles P-C4'-P energy: -70.414 tors. eta vs tors. theta energy: -37.514 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: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -665.605954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.605954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.605954 (E_RNA) where: Base-Base interactions energy: -325.354 where: short stacking energy: -188.164 Base-Backbone interact. energy: 4.931 local terms energy: -345.182886 where: bonds (distance) C4'-P energy: -86.823 bonds (distance) P-C4' energy: -118.957 flat angles C4'-P-C4' energy: -84.158 flat angles P-C4'-P energy: -36.482 tors. eta vs tors. theta energy: -18.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -492.417377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.417377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.417377 (E_RNA) where: Base-Base interactions energy: -170.901 where: short stacking energy: -139.648 Base-Backbone interact. energy: -3.340 local terms energy: -318.176433 where: bonds (distance) C4'-P energy: -89.583 bonds (distance) P-C4' energy: -97.908 flat angles C4'-P-C4' energy: -88.602 flat angles P-C4'-P energy: -60.183 tors. eta vs tors. theta energy: 18.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2066.916331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.916331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.916331 (E_RNA) where: Base-Base interactions energy: -1390.189 where: short stacking energy: -613.614 Base-Backbone interact. energy: -1.239 local terms energy: -675.488547 where: bonds (distance) C4'-P energy: -121.989 bonds (distance) P-C4' energy: -118.658 flat angles C4'-P-C4' energy: -144.166 flat angles P-C4'-P energy: -99.274 tors. eta vs tors. theta energy: -191.402 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: 181 Temperature: 0.950000 Total energy: -2028.841710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.841710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.841710 (E_RNA) where: Base-Base interactions energy: -1380.519 where: short stacking energy: -555.145 Base-Backbone interact. energy: -1.965 local terms energy: -646.357521 where: bonds (distance) C4'-P energy: -119.367 bonds (distance) P-C4' energy: -117.407 flat angles C4'-P-C4' energy: -136.671 flat angles P-C4'-P energy: -98.070 tors. eta vs tors. theta energy: -174.843 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: 3, replica: 1 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1949.288567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.288567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.288567 (E_RNA) where: Base-Base interactions energy: -1317.059 where: short stacking energy: -554.697 Base-Backbone interact. energy: 3.812 local terms energy: -636.042279 where: bonds (distance) C4'-P energy: -119.848 bonds (distance) P-C4' energy: -110.118 flat angles C4'-P-C4' energy: -133.879 flat angles P-C4'-P energy: -100.771 tors. eta vs tors. theta energy: -171.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1825.799860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.799860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.799860 (E_RNA) where: Base-Base interactions energy: -1211.873 where: short stacking energy: -548.350 Base-Backbone interact. energy: 0.580 local terms energy: -614.507118 where: bonds (distance) C4'-P energy: -115.070 bonds (distance) P-C4' energy: -108.950 flat angles C4'-P-C4' energy: -138.116 flat angles P-C4'-P energy: -85.417 tors. eta vs tors. theta energy: -166.954 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: 5, replica: 10 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1603.405971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.405971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.405971 (E_RNA) where: Base-Base interactions energy: -1068.451 where: short stacking energy: -459.218 Base-Backbone interact. energy: -1.689 local terms energy: -533.265423 where: bonds (distance) C4'-P energy: -105.242 bonds (distance) P-C4' energy: -108.724 flat angles C4'-P-C4' energy: -112.586 flat angles P-C4'-P energy: -72.064 tors. eta vs tors. theta energy: -134.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1406.365886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.365886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.365886 (E_RNA) where: Base-Base interactions energy: -904.915 where: short stacking energy: -394.876 Base-Backbone interact. energy: -3.434 local terms energy: -498.017212 where: bonds (distance) C4'-P energy: -96.395 bonds (distance) P-C4' energy: -120.241 flat angles C4'-P-C4' energy: -113.562 flat angles P-C4'-P energy: -69.705 tors. eta vs tors. theta energy: -98.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1364.760960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.760960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.760960 (E_RNA) where: Base-Base interactions energy: -877.342 where: short stacking energy: -411.665 Base-Backbone interact. energy: -0.980 local terms energy: -486.438828 where: bonds (distance) C4'-P energy: -85.201 bonds (distance) P-C4' energy: -102.864 flat angles C4'-P-C4' energy: -122.949 flat angles P-C4'-P energy: -65.814 tors. eta vs tors. theta energy: -109.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -896.843412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.843412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.843412 (E_RNA) where: Base-Base interactions energy: -489.372 where: short stacking energy: -253.350 Base-Backbone interact. energy: -0.476 local terms energy: -406.994908 where: bonds (distance) C4'-P energy: -103.748 bonds (distance) P-C4' energy: -118.413 flat angles C4'-P-C4' energy: -108.875 flat angles P-C4'-P energy: -50.722 tors. eta vs tors. theta energy: -25.237 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: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -711.098336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.098336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.098336 (E_RNA) where: Base-Base interactions energy: -374.364 where: short stacking energy: -202.932 Base-Backbone interact. energy: -3.404 local terms energy: -333.329871 where: bonds (distance) C4'-P energy: -83.594 bonds (distance) P-C4' energy: -107.342 flat angles C4'-P-C4' energy: -72.643 flat angles P-C4'-P energy: -51.841 tors. eta vs tors. theta energy: -17.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -500.246263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.246263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.246263 (E_RNA) where: Base-Base interactions energy: -182.605 where: short stacking energy: -128.519 Base-Backbone interact. energy: 0.434 local terms energy: -318.074552 where: bonds (distance) C4'-P energy: -95.150 bonds (distance) P-C4' energy: -96.980 flat angles C4'-P-C4' energy: -80.314 flat angles P-C4'-P energy: -48.824 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: 1, replica: 7 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2035.772423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.772423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.772423 (E_RNA) where: Base-Base interactions energy: -1385.489 where: short stacking energy: -582.146 Base-Backbone interact. energy: -1.489 local terms energy: -648.794007 where: bonds (distance) C4'-P energy: -115.346 bonds (distance) P-C4' energy: -129.195 flat angles C4'-P-C4' energy: -135.606 flat angles P-C4'-P energy: -94.509 tors. eta vs tors. theta energy: -174.138 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: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2010.115817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.115817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.115817 (E_RNA) where: Base-Base interactions energy: -1391.958 where: short stacking energy: -561.744 Base-Backbone interact. energy: -0.593 local terms energy: -617.565483 where: bonds (distance) C4'-P energy: -114.256 bonds (distance) P-C4' energy: -112.052 flat angles C4'-P-C4' energy: -136.486 flat angles P-C4'-P energy: -81.474 tors. eta vs tors. theta energy: -173.298 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: 3, replica: 1 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1917.037797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.037797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.037797 (E_RNA) where: Base-Base interactions energy: -1310.830 where: short stacking energy: -549.972 Base-Backbone interact. energy: -2.808 local terms energy: -603.399682 where: bonds (distance) C4'-P energy: -107.950 bonds (distance) P-C4' energy: -108.832 flat angles C4'-P-C4' energy: -133.471 flat angles P-C4'-P energy: -91.174 tors. eta vs tors. theta energy: -161.974 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: 5 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1816.913668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.913668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.913668 (E_RNA) where: Base-Base interactions energy: -1240.947 where: short stacking energy: -545.703 Base-Backbone interact. energy: -1.492 local terms energy: -574.474441 where: bonds (distance) C4'-P energy: -101.558 bonds (distance) P-C4' energy: -107.322 flat angles C4'-P-C4' energy: -124.922 flat angles P-C4'-P energy: -92.094 tors. eta vs tors. theta energy: -148.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1647.381104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.381104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.381104 (E_RNA) where: Base-Base interactions energy: -1087.750 where: short stacking energy: -472.138 Base-Backbone interact. energy: -2.267 local terms energy: -557.364341 where: bonds (distance) C4'-P energy: -111.922 bonds (distance) P-C4' energy: -119.733 flat angles C4'-P-C4' energy: -109.818 flat angles P-C4'-P energy: -80.733 tors. eta vs tors. theta energy: -135.158 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: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1452.462314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.462314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.462314 (E_RNA) where: Base-Base interactions energy: -923.035 where: short stacking energy: -419.160 Base-Backbone interact. energy: -1.230 local terms energy: -528.197215 where: bonds (distance) C4'-P energy: -106.866 bonds (distance) P-C4' energy: -121.236 flat angles C4'-P-C4' energy: -111.166 flat angles P-C4'-P energy: -78.637 tors. eta vs tors. theta energy: -110.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1394.512598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.512598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.512598 (E_RNA) where: Base-Base interactions energy: -888.283 where: short stacking energy: -390.852 Base-Backbone interact. energy: 0.612 local terms energy: -506.841928 where: bonds (distance) C4'-P energy: -98.086 bonds (distance) P-C4' energy: -118.074 flat angles C4'-P-C4' energy: -128.277 flat angles P-C4'-P energy: -57.541 tors. eta vs tors. theta energy: -104.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -938.725199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.725199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.725199 (E_RNA) where: Base-Base interactions energy: -526.507 where: short stacking energy: -246.465 Base-Backbone interact. energy: -2.812 local terms energy: -409.405831 where: bonds (distance) C4'-P energy: -113.602 bonds (distance) P-C4' energy: -102.376 flat angles C4'-P-C4' energy: -102.730 flat angles P-C4'-P energy: -57.781 tors. eta vs tors. theta energy: -32.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -712.758212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.758212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.758212 (E_RNA) where: Base-Base interactions energy: -392.519 where: short stacking energy: -218.257 Base-Backbone interact. energy: -0.449 local terms energy: -319.791024 where: bonds (distance) C4'-P energy: -76.906 bonds (distance) P-C4' energy: -97.939 flat angles C4'-P-C4' energy: -84.657 flat angles P-C4'-P energy: -52.863 tors. eta vs tors. theta energy: -7.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -465.932615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.932615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.932615 (E_RNA) where: Base-Base interactions energy: -190.570 where: short stacking energy: -147.243 Base-Backbone interact. energy: 4.191 local terms energy: -279.553209 where: bonds (distance) C4'-P energy: -84.657 bonds (distance) P-C4' energy: -100.828 flat angles C4'-P-C4' energy: -77.837 flat angles P-C4'-P energy: -31.212 tors. eta vs tors. theta energy: 14.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2064.415321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.415321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.415321 (E_RNA) where: Base-Base interactions energy: -1437.296 where: short stacking energy: -619.836 Base-Backbone interact. energy: -0.598 local terms energy: -626.521336 where: bonds (distance) C4'-P energy: -117.783 bonds (distance) P-C4' energy: -119.332 flat angles C4'-P-C4' energy: -134.063 flat angles P-C4'-P energy: -85.834 tors. eta vs tors. theta energy: -169.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1998.321022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.321022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.321022 (E_RNA) where: Base-Base interactions energy: -1366.214 where: short stacking energy: -579.343 Base-Backbone interact. energy: -2.061 local terms energy: -630.046433 where: bonds (distance) C4'-P energy: -114.864 bonds (distance) P-C4' energy: -118.101 flat angles C4'-P-C4' energy: -134.786 flat angles P-C4'-P energy: -91.929 tors. eta vs tors. theta energy: -170.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1886.606455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.606455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.606455 (E_RNA) where: Base-Base interactions energy: -1318.773 where: short stacking energy: -554.189 Base-Backbone interact. energy: -0.656 local terms energy: -567.177668 where: bonds (distance) C4'-P energy: -106.077 bonds (distance) P-C4' energy: -111.328 flat angles C4'-P-C4' energy: -117.528 flat angles P-C4'-P energy: -87.325 tors. eta vs tors. theta energy: -144.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1773.759671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.759671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.759671 (E_RNA) where: Base-Base interactions energy: -1200.772 where: short stacking energy: -500.561 Base-Backbone interact. energy: -3.528 local terms energy: -569.459542 where: bonds (distance) C4'-P energy: -123.712 bonds (distance) P-C4' energy: -117.802 flat angles C4'-P-C4' energy: -127.101 flat angles P-C4'-P energy: -68.182 tors. eta vs tors. theta energy: -132.662 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: 5, replica: 10 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1630.826499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.826499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.826499 (E_RNA) where: Base-Base interactions energy: -1075.940 where: short stacking energy: -476.147 Base-Backbone interact. energy: -0.244 local terms energy: -554.642386 where: bonds (distance) C4'-P energy: -122.430 bonds (distance) P-C4' energy: -120.417 flat angles C4'-P-C4' energy: -114.867 flat angles P-C4'-P energy: -64.564 tors. eta vs tors. theta energy: -132.364 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: 183 Temperature: 1.150000 Total energy: -1395.968360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.968360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.968360 (E_RNA) where: Base-Base interactions energy: -885.418 where: short stacking energy: -377.608 Base-Backbone interact. energy: -1.464 local terms energy: -509.086263 where: bonds (distance) C4'-P energy: -82.758 bonds (distance) P-C4' energy: -114.920 flat angles C4'-P-C4' energy: -129.812 flat angles P-C4'-P energy: -85.289 tors. eta vs tors. theta energy: -96.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1395.650009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.650009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.650009 (E_RNA) where: Base-Base interactions energy: -871.545 where: short stacking energy: -385.686 Base-Backbone interact. energy: 0.209 local terms energy: -524.313442 where: bonds (distance) C4'-P energy: -113.832 bonds (distance) P-C4' energy: -100.673 flat angles C4'-P-C4' energy: -118.175 flat angles P-C4'-P energy: -68.933 tors. eta vs tors. theta energy: -122.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -886.778769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.778769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.778769 (E_RNA) where: Base-Base interactions energy: -458.960 where: short stacking energy: -201.019 Base-Backbone interact. energy: -2.988 local terms energy: -424.831065 where: bonds (distance) C4'-P energy: -114.918 bonds (distance) P-C4' energy: -109.332 flat angles C4'-P-C4' energy: -107.934 flat angles P-C4'-P energy: -77.007 tors. eta vs tors. theta energy: -15.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -681.569244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.569244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.569244 (E_RNA) where: Base-Base interactions energy: -330.725 where: short stacking energy: -180.710 Base-Backbone interact. energy: -3.602 local terms energy: -347.242629 where: bonds (distance) C4'-P energy: -98.967 bonds (distance) P-C4' energy: -108.840 flat angles C4'-P-C4' energy: -92.645 flat angles P-C4'-P energy: -46.428 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: 10, replica: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -452.891766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.891766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.891766 (E_RNA) where: Base-Base interactions energy: -132.542 where: short stacking energy: -105.118 Base-Backbone interact. energy: -1.254 local terms energy: -319.096542 where: bonds (distance) C4'-P energy: -97.593 bonds (distance) P-C4' energy: -116.822 flat angles C4'-P-C4' energy: -84.748 flat angles P-C4'-P energy: -55.824 tors. eta vs tors. theta energy: 35.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2050.923696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.923696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.923696 (E_RNA) where: Base-Base interactions energy: -1406.297 where: short stacking energy: -606.052 Base-Backbone interact. energy: -2.702 local terms energy: -641.924118 where: bonds (distance) C4'-P energy: -115.356 bonds (distance) P-C4' energy: -130.892 flat angles C4'-P-C4' energy: -142.608 flat angles P-C4'-P energy: -88.597 tors. eta vs tors. theta energy: -164.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1999.449429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.449429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.449429 (E_RNA) where: Base-Base interactions energy: -1364.939 where: short stacking energy: -568.838 Base-Backbone interact. energy: 0.428 local terms energy: -634.938623 where: bonds (distance) C4'-P energy: -104.207 bonds (distance) P-C4' energy: -123.279 flat angles C4'-P-C4' energy: -136.799 flat angles P-C4'-P energy: -96.619 tors. eta vs tors. theta energy: -174.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1902.117707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.117707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.117707 (E_RNA) where: Base-Base interactions energy: -1286.739 where: short stacking energy: -538.089 Base-Backbone interact. energy: -2.135 local terms energy: -613.242751 where: bonds (distance) C4'-P energy: -132.907 bonds (distance) P-C4' energy: -112.915 flat angles C4'-P-C4' energy: -123.264 flat angles P-C4'-P energy: -93.013 tors. eta vs tors. theta energy: -151.143 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: 5 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1738.251698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.251698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.251698 (E_RNA) where: Base-Base interactions energy: -1147.711 where: short stacking energy: -517.352 Base-Backbone interact. energy: -0.928 local terms energy: -589.612890 where: bonds (distance) C4'-P energy: -112.914 bonds (distance) P-C4' energy: -114.304 flat angles C4'-P-C4' energy: -131.577 flat angles P-C4'-P energy: -84.711 tors. eta vs tors. theta energy: -146.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1643.850993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.850993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.850993 (E_RNA) where: Base-Base interactions energy: -1083.241 where: short stacking energy: -486.455 Base-Backbone interact. energy: 0.068 local terms energy: -560.678524 where: bonds (distance) C4'-P energy: -111.491 bonds (distance) P-C4' energy: -118.642 flat angles C4'-P-C4' energy: -111.854 flat angles P-C4'-P energy: -80.300 tors. eta vs tors. theta energy: -138.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1385.024907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.024907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.024907 (E_RNA) where: Base-Base interactions energy: -873.307 where: short stacking energy: -388.468 Base-Backbone interact. energy: -4.271 local terms energy: -507.447594 where: bonds (distance) C4'-P energy: -104.565 bonds (distance) P-C4' energy: -122.659 flat angles C4'-P-C4' energy: -113.513 flat angles P-C4'-P energy: -71.367 tors. eta vs tors. theta energy: -95.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1413.171071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.171071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.171071 (E_RNA) where: Base-Base interactions energy: -901.099 where: short stacking energy: -416.539 Base-Backbone interact. energy: -2.962 local terms energy: -509.109822 where: bonds (distance) C4'-P energy: -83.649 bonds (distance) P-C4' energy: -107.547 flat angles C4'-P-C4' energy: -131.270 flat angles P-C4'-P energy: -72.008 tors. eta vs tors. theta energy: -114.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -880.887009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.887009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.887009 (E_RNA) where: Base-Base interactions energy: -496.808 where: short stacking energy: -254.079 Base-Backbone interact. energy: -3.995 local terms energy: -380.084012 where: bonds (distance) C4'-P energy: -111.378 bonds (distance) P-C4' energy: -99.436 flat angles C4'-P-C4' energy: -77.902 flat angles P-C4'-P energy: -59.191 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: 9, replica: 8 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -756.845353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.845353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.845353 (E_RNA) where: Base-Base interactions energy: -377.804 where: short stacking energy: -215.896 Base-Backbone interact. energy: -2.389 local terms energy: -376.652566 where: bonds (distance) C4'-P energy: -108.052 bonds (distance) P-C4' energy: -98.765 flat angles C4'-P-C4' energy: -100.883 flat angles P-C4'-P energy: -54.112 tors. eta vs tors. theta energy: -14.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -492.797493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.797493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.797493 (E_RNA) where: Base-Base interactions energy: -184.695 where: short stacking energy: -118.306 Base-Backbone interact. energy: -3.452 local terms energy: -304.650370 where: bonds (distance) C4'-P energy: -97.719 bonds (distance) P-C4' energy: -100.024 flat angles C4'-P-C4' energy: -88.679 flat angles P-C4'-P energy: -45.967 tors. eta vs tors. theta energy: 27.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2039.599743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.599743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.599743 (E_RNA) where: Base-Base interactions energy: -1397.027 where: short stacking energy: -582.729 Base-Backbone interact. energy: -1.593 local terms energy: -640.979812 where: bonds (distance) C4'-P energy: -118.687 bonds (distance) P-C4' energy: -117.361 flat angles C4'-P-C4' energy: -143.367 flat angles P-C4'-P energy: -92.403 tors. eta vs tors. theta energy: -169.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1975.808811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.808811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.808811 (E_RNA) where: Base-Base interactions energy: -1370.418 where: short stacking energy: -538.472 Base-Backbone interact. energy: -1.262 local terms energy: -604.128957 where: bonds (distance) C4'-P energy: -115.559 bonds (distance) P-C4' energy: -108.559 flat angles C4'-P-C4' energy: -125.735 flat angles P-C4'-P energy: -88.884 tors. eta vs tors. theta energy: -165.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1895.583486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.583486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.583486 (E_RNA) where: Base-Base interactions energy: -1307.067 where: short stacking energy: -540.114 Base-Backbone interact. energy: 0.624 local terms energy: -589.140739 where: bonds (distance) C4'-P energy: -121.879 bonds (distance) P-C4' energy: -110.555 flat angles C4'-P-C4' energy: -121.161 flat angles P-C4'-P energy: -90.566 tors. eta vs tors. theta energy: -144.979 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: 5 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1768.819412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.819412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.819412 (E_RNA) where: Base-Base interactions energy: -1182.544 where: short stacking energy: -500.086 Base-Backbone interact. energy: -0.595 local terms energy: -585.680478 where: bonds (distance) C4'-P energy: -118.264 bonds (distance) P-C4' energy: -119.668 flat angles C4'-P-C4' energy: -122.603 flat angles P-C4'-P energy: -82.578 tors. eta vs tors. theta energy: -142.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1626.528844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.528844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.528844 (E_RNA) where: Base-Base interactions energy: -1062.109 where: short stacking energy: -453.636 Base-Backbone interact. energy: -2.994 local terms energy: -561.424946 where: bonds (distance) C4'-P energy: -106.115 bonds (distance) P-C4' energy: -118.406 flat angles C4'-P-C4' energy: -120.617 flat angles P-C4'-P energy: -79.960 tors. eta vs tors. theta energy: -136.327 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: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1441.459891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.459891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.459891 (E_RNA) where: Base-Base interactions energy: -924.105 where: short stacking energy: -395.471 Base-Backbone interact. energy: -0.025 local terms energy: -517.330355 where: bonds (distance) C4'-P energy: -98.973 bonds (distance) P-C4' energy: -97.323 flat angles C4'-P-C4' energy: -130.079 flat angles P-C4'-P energy: -66.279 tors. eta vs tors. theta energy: -124.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1305.875847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.875847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.875847 (E_RNA) where: Base-Base interactions energy: -874.143 where: short stacking energy: -383.719 Base-Backbone interact. energy: -0.535 local terms energy: -431.197705 where: bonds (distance) C4'-P energy: -74.190 bonds (distance) P-C4' energy: -92.986 flat angles C4'-P-C4' energy: -112.536 flat angles P-C4'-P energy: -57.972 tors. eta vs tors. theta energy: -93.514 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: 8, replica: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -913.176060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.176060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.176060 (E_RNA) where: Base-Base interactions energy: -505.111 where: short stacking energy: -212.777 Base-Backbone interact. energy: -2.131 local terms energy: -405.933526 where: bonds (distance) C4'-P energy: -107.392 bonds (distance) P-C4' energy: -108.878 flat angles C4'-P-C4' energy: -97.122 flat angles P-C4'-P energy: -57.614 tors. eta vs tors. theta energy: -34.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -793.949448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.949448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.949448 (E_RNA) where: Base-Base interactions energy: -421.701 where: short stacking energy: -230.408 Base-Backbone interact. energy: 1.143 local terms energy: -373.390862 where: bonds (distance) C4'-P energy: -96.534 bonds (distance) P-C4' energy: -113.591 flat angles C4'-P-C4' energy: -102.040 flat angles P-C4'-P energy: -52.158 tors. eta vs tors. theta energy: -9.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -470.570420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.570420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.570420 (E_RNA) where: Base-Base interactions energy: -157.064 where: short stacking energy: -109.740 Base-Backbone interact. energy: 0.272 local terms energy: -313.777788 where: bonds (distance) C4'-P energy: -80.946 bonds (distance) P-C4' energy: -106.837 flat angles C4'-P-C4' energy: -95.981 flat angles P-C4'-P energy: -58.507 tors. eta vs tors. theta energy: 28.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2061.623441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.623441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.623441 (E_RNA) where: Base-Base interactions energy: -1402.681 where: short stacking energy: -613.688 Base-Backbone interact. energy: -3.115 local terms energy: -655.827436 where: bonds (distance) C4'-P energy: -118.306 bonds (distance) P-C4' energy: -124.462 flat angles C4'-P-C4' energy: -136.879 flat angles P-C4'-P energy: -94.563 tors. eta vs tors. theta energy: -181.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2017.009493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.009493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.009493 (E_RNA) where: Base-Base interactions energy: -1385.364 where: short stacking energy: -555.937 Base-Backbone interact. energy: 6.757 local terms energy: -638.402475 where: bonds (distance) C4'-P energy: -126.606 bonds (distance) P-C4' energy: -122.523 flat angles C4'-P-C4' energy: -130.722 flat angles P-C4'-P energy: -89.259 tors. eta vs tors. theta energy: -169.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1941.909187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.909187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.909187 (E_RNA) where: Base-Base interactions energy: -1330.960 where: short stacking energy: -570.606 Base-Backbone interact. energy: -2.327 local terms energy: -608.621898 where: bonds (distance) C4'-P energy: -113.942 bonds (distance) P-C4' energy: -114.316 flat angles C4'-P-C4' energy: -141.973 flat angles P-C4'-P energy: -80.494 tors. eta vs tors. theta energy: -157.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1778.437742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.437742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.437742 (E_RNA) where: Base-Base interactions energy: -1214.846 where: short stacking energy: -521.446 Base-Backbone interact. energy: -1.666 local terms energy: -561.924865 where: bonds (distance) C4'-P energy: -107.629 bonds (distance) P-C4' energy: -99.568 flat angles C4'-P-C4' energy: -134.483 flat angles P-C4'-P energy: -71.979 tors. eta vs tors. theta energy: -148.265 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: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1641.465959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.465959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.465959 (E_RNA) where: Base-Base interactions energy: -1109.813 where: short stacking energy: -487.264 Base-Backbone interact. energy: -1.098 local terms energy: -530.554346 where: bonds (distance) C4'-P energy: -100.752 bonds (distance) P-C4' energy: -108.985 flat angles C4'-P-C4' energy: -115.827 flat angles P-C4'-P energy: -69.680 tors. eta vs tors. theta energy: -135.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1458.267310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.267310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.267310 (E_RNA) where: Base-Base interactions energy: -956.794 where: short stacking energy: -408.344 Base-Backbone interact. energy: 0.120 local terms energy: -501.593498 where: bonds (distance) C4'-P energy: -89.313 bonds (distance) P-C4' energy: -104.299 flat angles C4'-P-C4' energy: -106.808 flat angles P-C4'-P energy: -82.038 tors. eta vs tors. theta energy: -119.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1285.794568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.794568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.794568 (E_RNA) where: Base-Base interactions energy: -831.227 where: short stacking energy: -381.575 Base-Backbone interact. energy: 2.732 local terms energy: -457.299517 where: bonds (distance) C4'-P energy: -85.451 bonds (distance) P-C4' energy: -99.997 flat angles C4'-P-C4' energy: -112.586 flat angles P-C4'-P energy: -65.820 tors. eta vs tors. theta energy: -93.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -929.853010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.853010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.853010 (E_RNA) where: Base-Base interactions energy: -552.235 where: short stacking energy: -249.280 Base-Backbone interact. energy: -2.290 local terms energy: -375.327721 where: bonds (distance) C4'-P energy: -81.086 bonds (distance) P-C4' energy: -89.921 flat angles C4'-P-C4' energy: -89.202 flat angles P-C4'-P energy: -80.110 tors. eta vs tors. theta energy: -35.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -704.204610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.204610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.204610 (E_RNA) where: Base-Base interactions energy: -360.234 where: short stacking energy: -193.663 Base-Backbone interact. energy: -0.959 local terms energy: -343.011381 where: bonds (distance) C4'-P energy: -90.277 bonds (distance) P-C4' energy: -83.783 flat angles C4'-P-C4' energy: -85.907 flat angles P-C4'-P energy: -74.598 tors. eta vs tors. theta energy: -8.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -500.423395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.423395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.423395 (E_RNA) where: Base-Base interactions energy: -203.375 where: short stacking energy: -140.057 Base-Backbone interact. energy: -4.144 local terms energy: -292.904233 where: bonds (distance) C4'-P energy: -99.233 bonds (distance) P-C4' energy: -75.872 flat angles C4'-P-C4' energy: -83.955 flat angles P-C4'-P energy: -42.553 tors. eta vs tors. theta energy: 8.709 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: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2062.715369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.715369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.715369 (E_RNA) where: Base-Base interactions energy: -1385.548 where: short stacking energy: -587.871 Base-Backbone interact. energy: -0.740 local terms energy: -676.427394 where: bonds (distance) C4'-P energy: -133.274 bonds (distance) P-C4' energy: -142.250 flat angles C4'-P-C4' energy: -134.364 flat angles P-C4'-P energy: -87.845 tors. eta vs tors. theta energy: -178.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2009.707410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.707410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.707410 (E_RNA) where: Base-Base interactions energy: -1389.860 where: short stacking energy: -545.279 Base-Backbone interact. energy: -2.832 local terms energy: -617.015779 where: bonds (distance) C4'-P energy: -126.433 bonds (distance) P-C4' energy: -123.865 flat angles C4'-P-C4' energy: -124.035 flat angles P-C4'-P energy: -81.876 tors. eta vs tors. theta energy: -160.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1949.834790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.834790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.834790 (E_RNA) where: Base-Base interactions energy: -1357.257 where: short stacking energy: -560.756 Base-Backbone interact. energy: -2.208 local terms energy: -590.370465 where: bonds (distance) C4'-P energy: -108.324 bonds (distance) P-C4' energy: -109.536 flat angles C4'-P-C4' energy: -125.600 flat angles P-C4'-P energy: -79.379 tors. eta vs tors. theta energy: -167.531 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: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1732.239253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.239253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.239253 (E_RNA) where: Base-Base interactions energy: -1174.129 where: short stacking energy: -501.817 Base-Backbone interact. energy: -1.619 local terms energy: -556.491585 where: bonds (distance) C4'-P energy: -108.544 bonds (distance) P-C4' energy: -130.196 flat angles C4'-P-C4' energy: -111.550 flat angles P-C4'-P energy: -66.981 tors. eta vs tors. theta energy: -139.219 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: 10 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1696.099152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.099152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.099152 (E_RNA) where: Base-Base interactions energy: -1106.245 where: short stacking energy: -502.432 Base-Backbone interact. energy: -0.425 local terms energy: -589.429193 where: bonds (distance) C4'-P energy: -110.312 bonds (distance) P-C4' energy: -119.472 flat angles C4'-P-C4' energy: -129.611 flat angles P-C4'-P energy: -86.606 tors. eta vs tors. theta energy: -143.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1479.450896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.450896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.450896 (E_RNA) where: Base-Base interactions energy: -981.260 where: short stacking energy: -438.804 Base-Backbone interact. energy: -1.638 local terms energy: -496.553273 where: bonds (distance) C4'-P energy: -114.144 bonds (distance) P-C4' energy: -93.119 flat angles C4'-P-C4' energy: -107.244 flat angles P-C4'-P energy: -65.214 tors. eta vs tors. theta energy: -116.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1223.416606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.416606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.416606 (E_RNA) where: Base-Base interactions energy: -757.478 where: short stacking energy: -351.429 Base-Backbone interact. energy: 1.873 local terms energy: -467.811530 where: bonds (distance) C4'-P energy: -104.646 bonds (distance) P-C4' energy: -106.111 flat angles C4'-P-C4' energy: -102.989 flat angles P-C4'-P energy: -71.059 tors. eta vs tors. theta energy: -83.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1005.861041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.861041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.861041 (E_RNA) where: Base-Base interactions energy: -591.033 where: short stacking energy: -268.786 Base-Backbone interact. energy: 0.468 local terms energy: -415.296516 where: bonds (distance) C4'-P energy: -115.406 bonds (distance) P-C4' energy: -88.760 flat angles C4'-P-C4' energy: -103.064 flat angles P-C4'-P energy: -57.087 tors. eta vs tors. theta energy: -50.979 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: 8 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -705.475012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.475012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.475012 (E_RNA) where: Base-Base interactions energy: -350.964 where: short stacking energy: -181.932 Base-Backbone interact. energy: 2.278 local terms energy: -356.788489 where: bonds (distance) C4'-P energy: -98.134 bonds (distance) P-C4' energy: -94.032 flat angles C4'-P-C4' energy: -83.758 flat angles P-C4'-P energy: -68.169 tors. eta vs tors. theta energy: -12.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -493.003237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.003237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.003237 (E_RNA) where: Base-Base interactions energy: -212.777 where: short stacking energy: -135.678 Base-Backbone interact. energy: -1.264 local terms energy: -278.962275 where: bonds (distance) C4'-P energy: -91.144 bonds (distance) P-C4' energy: -88.587 flat angles C4'-P-C4' energy: -88.528 flat angles P-C4'-P energy: -35.616 tors. eta vs tors. theta energy: 24.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2053.193788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.193788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.193788 (E_RNA) where: Base-Base interactions energy: -1380.402 where: short stacking energy: -590.277 Base-Backbone interact. energy: -3.217 local terms energy: -669.574810 where: bonds (distance) C4'-P energy: -115.981 bonds (distance) P-C4' energy: -126.097 flat angles C4'-P-C4' energy: -146.000 flat angles P-C4'-P energy: -103.130 tors. eta vs tors. theta energy: -178.367 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: 3 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2018.511802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.511802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.511802 (E_RNA) where: Base-Base interactions energy: -1401.203 where: short stacking energy: -565.420 Base-Backbone interact. energy: 1.829 local terms energy: -619.138412 where: bonds (distance) C4'-P energy: -116.731 bonds (distance) P-C4' energy: -117.331 flat angles C4'-P-C4' energy: -141.051 flat angles P-C4'-P energy: -78.227 tors. eta vs tors. theta energy: -165.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1997.992180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.992180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.992180 (E_RNA) where: Base-Base interactions energy: -1367.853 where: short stacking energy: -594.247 Base-Backbone interact. energy: -7.866 local terms energy: -622.273740 where: bonds (distance) C4'-P energy: -102.255 bonds (distance) P-C4' energy: -128.672 flat angles C4'-P-C4' energy: -136.732 flat angles P-C4'-P energy: -86.376 tors. eta vs tors. theta energy: -168.238 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: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1792.660918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.660918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.660918 (E_RNA) where: Base-Base interactions energy: -1221.704 where: short stacking energy: -541.566 Base-Backbone interact. energy: -5.246 local terms energy: -565.711076 where: bonds (distance) C4'-P energy: -108.088 bonds (distance) P-C4' energy: -101.024 flat angles C4'-P-C4' energy: -126.524 flat angles P-C4'-P energy: -92.770 tors. eta vs tors. theta energy: -137.306 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: 10 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1629.235318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.235318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.235318 (E_RNA) where: Base-Base interactions energy: -1088.539 where: short stacking energy: -444.695 Base-Backbone interact. energy: 4.903 local terms energy: -545.599405 where: bonds (distance) C4'-P energy: -119.686 bonds (distance) P-C4' energy: -100.062 flat angles C4'-P-C4' energy: -121.468 flat angles P-C4'-P energy: -71.504 tors. eta vs tors. theta energy: -132.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1459.614561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.614561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.614561 (E_RNA) where: Base-Base interactions energy: -935.244 where: short stacking energy: -415.004 Base-Backbone interact. energy: -2.568 local terms energy: -521.802577 where: bonds (distance) C4'-P energy: -114.042 bonds (distance) P-C4' energy: -99.612 flat angles C4'-P-C4' energy: -110.678 flat angles P-C4'-P energy: -61.756 tors. eta vs tors. theta energy: -135.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1261.471338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.471338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.471338 (E_RNA) where: Base-Base interactions energy: -767.169 where: short stacking energy: -366.487 Base-Backbone interact. energy: -1.180 local terms energy: -493.122443 where: bonds (distance) C4'-P energy: -100.173 bonds (distance) P-C4' energy: -125.833 flat angles C4'-P-C4' energy: -109.147 flat angles P-C4'-P energy: -74.383 tors. eta vs tors. theta energy: -83.586 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: 8, replica: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -951.579677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.579677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.579677 (E_RNA) where: Base-Base interactions energy: -583.235 where: short stacking energy: -257.316 Base-Backbone interact. energy: -0.176 local terms energy: -368.168900 where: bonds (distance) C4'-P energy: -113.893 bonds (distance) P-C4' energy: -95.751 flat angles C4'-P-C4' energy: -91.134 flat angles P-C4'-P energy: -41.475 tors. eta vs tors. theta energy: -25.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -680.812407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.812407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.812407 (E_RNA) where: Base-Base interactions energy: -330.495 where: short stacking energy: -195.620 Base-Backbone interact. energy: 1.091 local terms energy: -351.407988 where: bonds (distance) C4'-P energy: -81.998 bonds (distance) P-C4' energy: -112.016 flat angles C4'-P-C4' energy: -94.178 flat angles P-C4'-P energy: -55.043 tors. eta vs tors. theta energy: -8.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -476.782100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.782100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.782100 (E_RNA) where: Base-Base interactions energy: -172.935 where: short stacking energy: -131.500 Base-Backbone interact. energy: 0.784 local terms energy: -304.631170 where: bonds (distance) C4'-P energy: -89.615 bonds (distance) P-C4' energy: -99.876 flat angles C4'-P-C4' energy: -80.185 flat angles P-C4'-P energy: -56.359 tors. eta vs tors. theta energy: 21.403 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: 1, replica: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2047.201687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.201687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.201687 (E_RNA) where: Base-Base interactions energy: -1415.159 where: short stacking energy: -593.949 Base-Backbone interact. energy: -0.814 local terms energy: -631.228205 where: bonds (distance) C4'-P energy: -122.131 bonds (distance) P-C4' energy: -106.299 flat angles C4'-P-C4' energy: -134.029 flat angles P-C4'-P energy: -87.229 tors. eta vs tors. theta energy: -181.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1989.702765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.702765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.702765 (E_RNA) where: Base-Base interactions energy: -1351.111 where: short stacking energy: -562.895 Base-Backbone interact. energy: -4.137 local terms energy: -634.455203 where: bonds (distance) C4'-P energy: -117.799 bonds (distance) P-C4' energy: -125.555 flat angles C4'-P-C4' energy: -139.122 flat angles P-C4'-P energy: -84.250 tors. eta vs tors. theta energy: -167.729 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: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1963.848087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.848087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.848087 (E_RNA) where: Base-Base interactions energy: -1336.830 where: short stacking energy: -552.298 Base-Backbone interact. energy: 4.547 local terms energy: -631.565340 where: bonds (distance) C4'-P energy: -110.598 bonds (distance) P-C4' energy: -131.574 flat angles C4'-P-C4' energy: -139.443 flat angles P-C4'-P energy: -81.931 tors. eta vs tors. theta energy: -168.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1841.949299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.949299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.949299 (E_RNA) where: Base-Base interactions energy: -1252.705 where: short stacking energy: -531.371 Base-Backbone interact. energy: -0.281 local terms energy: -588.963389 where: bonds (distance) C4'-P energy: -111.351 bonds (distance) P-C4' energy: -118.379 flat angles C4'-P-C4' energy: -125.989 flat angles P-C4'-P energy: -80.980 tors. eta vs tors. theta energy: -152.264 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: 10 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1636.700839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.700839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.700839 (E_RNA) where: Base-Base interactions energy: -1069.656 where: short stacking energy: -469.667 Base-Backbone interact. energy: 1.808 local terms energy: -568.852560 where: bonds (distance) C4'-P energy: -118.170 bonds (distance) P-C4' energy: -115.449 flat angles C4'-P-C4' energy: -120.413 flat angles P-C4'-P energy: -83.278 tors. eta vs tors. theta energy: -131.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1458.603615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.603615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.603615 (E_RNA) where: Base-Base interactions energy: -930.335 where: short stacking energy: -427.286 Base-Backbone interact. energy: 0.951 local terms energy: -529.220459 where: bonds (distance) C4'-P energy: -114.754 bonds (distance) P-C4' energy: -106.147 flat angles C4'-P-C4' energy: -116.601 flat angles P-C4'-P energy: -78.657 tors. eta vs tors. theta energy: -113.062 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: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1304.451021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.451021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.451021 (E_RNA) where: Base-Base interactions energy: -841.151 where: short stacking energy: -382.682 Base-Backbone interact. energy: -2.671 local terms energy: -460.629036 where: bonds (distance) C4'-P energy: -98.475 bonds (distance) P-C4' energy: -94.239 flat angles C4'-P-C4' energy: -106.046 flat angles P-C4'-P energy: -68.114 tors. eta vs tors. theta energy: -93.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -952.079800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.079800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.079800 (E_RNA) where: Base-Base interactions energy: -557.744 where: short stacking energy: -238.089 Base-Backbone interact. energy: 1.982 local terms energy: -396.317472 where: bonds (distance) C4'-P energy: -109.038 bonds (distance) P-C4' energy: -109.376 flat angles C4'-P-C4' energy: -94.391 flat angles P-C4'-P energy: -55.424 tors. eta vs tors. theta energy: -28.089 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: 8 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -682.592135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.592135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.592135 (E_RNA) where: Base-Base interactions energy: -313.678 where: short stacking energy: -176.004 Base-Backbone interact. energy: -1.736 local terms energy: -367.178715 where: bonds (distance) C4'-P energy: -116.618 bonds (distance) P-C4' energy: -87.073 flat angles C4'-P-C4' energy: -96.560 flat angles P-C4'-P energy: -69.292 tors. eta vs tors. theta energy: 2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -454.673678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.673678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.673678 (E_RNA) where: Base-Base interactions energy: -159.533 where: short stacking energy: -128.116 Base-Backbone interact. energy: -0.786 local terms energy: -294.354590 where: bonds (distance) C4'-P energy: -88.542 bonds (distance) P-C4' energy: -85.576 flat angles C4'-P-C4' energy: -75.556 flat angles P-C4'-P energy: -46.285 tors. eta vs tors. theta energy: 1.605 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: 1, replica: 7 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2070.018942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.018942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.018942 (E_RNA) where: Base-Base interactions energy: -1400.422 where: short stacking energy: -596.693 Base-Backbone interact. energy: -0.984 local terms energy: -668.613197 where: bonds (distance) C4'-P energy: -111.369 bonds (distance) P-C4' energy: -129.024 flat angles C4'-P-C4' energy: -141.483 flat angles P-C4'-P energy: -102.520 tors. eta vs tors. theta energy: -184.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2006.739538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.739538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.739538 (E_RNA) where: Base-Base interactions energy: -1361.546 where: short stacking energy: -569.785 Base-Backbone interact. energy: -2.189 local terms energy: -643.003584 where: bonds (distance) C4'-P energy: -122.963 bonds (distance) P-C4' energy: -119.671 flat angles C4'-P-C4' energy: -133.583 flat angles P-C4'-P energy: -93.941 tors. eta vs tors. theta energy: -172.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1954.183146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.183146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.183146 (E_RNA) where: Base-Base interactions energy: -1335.286 where: short stacking energy: -517.645 Base-Backbone interact. energy: -3.112 local terms energy: -615.785831 where: bonds (distance) C4'-P energy: -130.783 bonds (distance) P-C4' energy: -110.119 flat angles C4'-P-C4' energy: -132.948 flat angles P-C4'-P energy: -85.428 tors. eta vs tors. theta energy: -156.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1784.688981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.688981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.688981 (E_RNA) where: Base-Base interactions energy: -1206.522 where: short stacking energy: -506.339 Base-Backbone interact. energy: 2.850 local terms energy: -581.016329 where: bonds (distance) C4'-P energy: -119.262 bonds (distance) P-C4' energy: -119.315 flat angles C4'-P-C4' energy: -120.060 flat angles P-C4'-P energy: -78.520 tors. eta vs tors. theta energy: -143.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1608.466012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.466012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.466012 (E_RNA) where: Base-Base interactions energy: -1071.969 where: short stacking energy: -465.910 Base-Backbone interact. energy: -1.348 local terms energy: -535.149439 where: bonds (distance) C4'-P energy: -113.388 bonds (distance) P-C4' energy: -101.517 flat angles C4'-P-C4' energy: -116.431 flat angles P-C4'-P energy: -67.502 tors. eta vs tors. theta energy: -136.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1485.602228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.602228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.602228 (E_RNA) where: Base-Base interactions energy: -963.594 where: short stacking energy: -431.373 Base-Backbone interact. energy: -1.242 local terms energy: -520.766166 where: bonds (distance) C4'-P energy: -95.748 bonds (distance) P-C4' energy: -112.823 flat angles C4'-P-C4' energy: -120.333 flat angles P-C4'-P energy: -74.983 tors. eta vs tors. theta energy: -116.879 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: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1301.882293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.882293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.882293 (E_RNA) where: Base-Base interactions energy: -834.513 where: short stacking energy: -380.085 Base-Backbone interact. energy: -0.182 local terms energy: -467.187170 where: bonds (distance) C4'-P energy: -87.428 bonds (distance) P-C4' energy: -108.059 flat angles C4'-P-C4' energy: -107.401 flat angles P-C4'-P energy: -70.884 tors. eta vs tors. theta energy: -93.415 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: 6 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -960.761429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.761429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.761429 (E_RNA) where: Base-Base interactions energy: -561.168 where: short stacking energy: -263.740 Base-Backbone interact. energy: -2.221 local terms energy: -397.372928 where: bonds (distance) C4'-P energy: -106.290 bonds (distance) P-C4' energy: -112.070 flat angles C4'-P-C4' energy: -98.968 flat angles P-C4'-P energy: -54.458 tors. eta vs tors. theta energy: -25.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -744.961235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.961235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.961235 (E_RNA) where: Base-Base interactions energy: -417.805 where: short stacking energy: -203.464 Base-Backbone interact. energy: 1.310 local terms energy: -328.465391 where: bonds (distance) C4'-P energy: -58.498 bonds (distance) P-C4' energy: -115.942 flat angles C4'-P-C4' energy: -95.979 flat angles P-C4'-P energy: -46.186 tors. eta vs tors. theta energy: -11.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -453.212698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.212698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.212698 (E_RNA) where: Base-Base interactions energy: -169.607 where: short stacking energy: -113.610 Base-Backbone interact. energy: 3.259 local terms energy: -286.865071 where: bonds (distance) C4'-P energy: -95.913 bonds (distance) P-C4' energy: -105.873 flat angles C4'-P-C4' energy: -78.305 flat angles P-C4'-P energy: -43.896 tors. eta vs tors. theta energy: 37.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2040.509006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.509006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.509006 (E_RNA) where: Base-Base interactions energy: -1387.945 where: short stacking energy: -593.758 Base-Backbone interact. energy: 1.324 local terms energy: -653.888446 where: bonds (distance) C4'-P energy: -107.635 bonds (distance) P-C4' energy: -131.277 flat angles C4'-P-C4' energy: -137.241 flat angles P-C4'-P energy: -92.813 tors. eta vs tors. theta energy: -184.921 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: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2009.416527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.416527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.416527 (E_RNA) where: Base-Base interactions energy: -1372.577 where: short stacking energy: -585.924 Base-Backbone interact. energy: -1.670 local terms energy: -635.170132 where: bonds (distance) C4'-P energy: -110.272 bonds (distance) P-C4' energy: -121.857 flat angles C4'-P-C4' energy: -142.182 flat angles P-C4'-P energy: -92.250 tors. eta vs tors. theta energy: -168.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1978.778283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.778283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.778283 (E_RNA) where: Base-Base interactions energy: -1348.359 where: short stacking energy: -541.985 Base-Backbone interact. energy: 1.001 local terms energy: -631.419988 where: bonds (distance) C4'-P energy: -113.930 bonds (distance) P-C4' energy: -117.787 flat angles C4'-P-C4' energy: -143.713 flat angles P-C4'-P energy: -92.191 tors. eta vs tors. theta energy: -163.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1753.119162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.119162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.119162 (E_RNA) where: Base-Base interactions energy: -1175.982 where: short stacking energy: -516.309 Base-Backbone interact. energy: -2.350 local terms energy: -574.787637 where: bonds (distance) C4'-P energy: -127.942 bonds (distance) P-C4' energy: -116.638 flat angles C4'-P-C4' energy: -109.717 flat angles P-C4'-P energy: -87.052 tors. eta vs tors. theta energy: -133.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1678.606266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.606266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.606266 (E_RNA) where: Base-Base interactions energy: -1135.086 where: short stacking energy: -481.570 Base-Backbone interact. energy: 1.025 local terms energy: -544.545352 where: bonds (distance) C4'-P energy: -105.986 bonds (distance) P-C4' energy: -112.019 flat angles C4'-P-C4' energy: -119.078 flat angles P-C4'-P energy: -63.687 tors. eta vs tors. theta energy: -143.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1439.779871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.779871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.779871 (E_RNA) where: Base-Base interactions energy: -906.301 where: short stacking energy: -412.394 Base-Backbone interact. energy: -1.173 local terms energy: -532.305669 where: bonds (distance) C4'-P energy: -94.117 bonds (distance) P-C4' energy: -122.107 flat angles C4'-P-C4' energy: -117.925 flat angles P-C4'-P energy: -80.325 tors. eta vs tors. theta energy: -117.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1289.136640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.136640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.136640 (E_RNA) where: Base-Base interactions energy: -810.371 where: short stacking energy: -365.666 Base-Backbone interact. energy: -0.699 local terms energy: -478.066405 where: bonds (distance) C4'-P energy: -110.757 bonds (distance) P-C4' energy: -106.342 flat angles C4'-P-C4' energy: -101.537 flat angles P-C4'-P energy: -78.065 tors. eta vs tors. theta energy: -81.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -967.450185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.450185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.450185 (E_RNA) where: Base-Base interactions energy: -587.768 where: short stacking energy: -258.899 Base-Backbone interact. energy: -3.695 local terms energy: -375.986707 where: bonds (distance) C4'-P energy: -93.746 bonds (distance) P-C4' energy: -100.112 flat angles C4'-P-C4' energy: -100.395 flat angles P-C4'-P energy: -57.500 tors. eta vs tors. theta energy: -24.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -739.044898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.044898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.044898 (E_RNA) where: Base-Base interactions energy: -358.451 where: short stacking energy: -210.966 Base-Backbone interact. energy: 0.427 local terms energy: -381.020369 where: bonds (distance) C4'-P energy: -99.751 bonds (distance) P-C4' energy: -112.136 flat angles C4'-P-C4' energy: -107.010 flat angles P-C4'-P energy: -56.179 tors. eta vs tors. theta energy: -5.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -500.990059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.990059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.990059 (E_RNA) where: Base-Base interactions energy: -156.697 where: short stacking energy: -134.171 Base-Backbone interact. energy: 6.352 local terms energy: -350.644435 where: bonds (distance) C4'-P energy: -96.410 bonds (distance) P-C4' energy: -100.200 flat angles C4'-P-C4' energy: -90.512 flat angles P-C4'-P energy: -64.228 tors. eta vs tors. theta energy: 0.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2083.884540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.884540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.884540 (E_RNA) where: Base-Base interactions energy: -1412.983 where: short stacking energy: -577.348 Base-Backbone interact. energy: -3.092 local terms energy: -667.809727 where: bonds (distance) C4'-P energy: -133.232 bonds (distance) P-C4' energy: -124.083 flat angles C4'-P-C4' energy: -123.627 flat angles P-C4'-P energy: -89.174 tors. eta vs tors. theta energy: -197.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2004.193586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.193586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.193586 (E_RNA) where: Base-Base interactions energy: -1365.157 where: short stacking energy: -571.703 Base-Backbone interact. energy: 2.321 local terms energy: -641.358270 where: bonds (distance) C4'-P energy: -129.725 bonds (distance) P-C4' energy: -124.008 flat angles C4'-P-C4' energy: -137.071 flat angles P-C4'-P energy: -93.092 tors. eta vs tors. theta energy: -157.462 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: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1943.613065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.613065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.613065 (E_RNA) where: Base-Base interactions energy: -1342.509 where: short stacking energy: -531.223 Base-Backbone interact. energy: -0.560 local terms energy: -600.544613 where: bonds (distance) C4'-P energy: -128.153 bonds (distance) P-C4' energy: -116.858 flat angles C4'-P-C4' energy: -123.419 flat angles P-C4'-P energy: -79.222 tors. eta vs tors. theta energy: -152.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1767.768728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.768728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.768728 (E_RNA) where: Base-Base interactions energy: -1198.078 where: short stacking energy: -504.148 Base-Backbone interact. energy: -0.467 local terms energy: -569.223963 where: bonds (distance) C4'-P energy: -113.538 bonds (distance) P-C4' energy: -116.606 flat angles C4'-P-C4' energy: -124.680 flat angles P-C4'-P energy: -72.528 tors. eta vs tors. theta energy: -141.871 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: 10 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1704.822195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.822195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.822195 (E_RNA) where: Base-Base interactions energy: -1154.592 where: short stacking energy: -497.868 Base-Backbone interact. energy: -2.235 local terms energy: -547.995097 where: bonds (distance) C4'-P energy: -93.111 bonds (distance) P-C4' energy: -113.950 flat angles C4'-P-C4' energy: -129.881 flat angles P-C4'-P energy: -73.272 tors. eta vs tors. theta energy: -137.781 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: 192 Temperature: 1.150000 Total energy: -1439.713017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.713017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.713017 (E_RNA) where: Base-Base interactions energy: -938.301 where: short stacking energy: -446.096 Base-Backbone interact. energy: -1.274 local terms energy: -500.137878 where: bonds (distance) C4'-P energy: -102.779 bonds (distance) P-C4' energy: -94.530 flat angles C4'-P-C4' energy: -101.789 flat angles P-C4'-P energy: -69.476 tors. eta vs tors. theta energy: -131.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1266.841487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.841487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.841487 (E_RNA) where: Base-Base interactions energy: -789.925 where: short stacking energy: -350.732 Base-Backbone interact. energy: 0.060 local terms energy: -476.976350 where: bonds (distance) C4'-P energy: -110.570 bonds (distance) P-C4' energy: -108.056 flat angles C4'-P-C4' energy: -112.169 flat angles P-C4'-P energy: -56.298 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: 8, replica: 6 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -952.644609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.644609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.644609 (E_RNA) where: Base-Base interactions energy: -557.103 where: short stacking energy: -259.905 Base-Backbone interact. energy: 1.755 local terms energy: -397.296370 where: bonds (distance) C4'-P energy: -104.229 bonds (distance) P-C4' energy: -98.147 flat angles C4'-P-C4' energy: -89.769 flat angles P-C4'-P energy: -65.321 tors. eta vs tors. theta energy: -39.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -666.410974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.410974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.410974 (E_RNA) where: Base-Base interactions energy: -339.450 where: short stacking energy: -195.373 Base-Backbone interact. energy: 2.871 local terms energy: -329.832412 where: bonds (distance) C4'-P energy: -90.814 bonds (distance) P-C4' energy: -107.382 flat angles C4'-P-C4' energy: -74.519 flat angles P-C4'-P energy: -48.237 tors. eta vs tors. theta energy: -8.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -475.135301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.135301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.135301 (E_RNA) where: Base-Base interactions energy: -150.261 where: short stacking energy: -131.251 Base-Backbone interact. energy: -0.461 local terms energy: -324.414214 where: bonds (distance) C4'-P energy: -98.188 bonds (distance) P-C4' energy: -116.414 flat angles C4'-P-C4' energy: -104.414 flat angles P-C4'-P energy: -34.502 tors. eta vs tors. theta energy: 29.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2083.712373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.712373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.712373 (E_RNA) where: Base-Base interactions energy: -1435.415 where: short stacking energy: -598.639 Base-Backbone interact. energy: -2.201 local terms energy: -646.095958 where: bonds (distance) C4'-P energy: -123.378 bonds (distance) P-C4' energy: -128.030 flat angles C4'-P-C4' energy: -134.927 flat angles P-C4'-P energy: -76.042 tors. eta vs tors. theta energy: -183.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1988.043285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.043285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.043285 (E_RNA) where: Base-Base interactions energy: -1377.571 where: short stacking energy: -581.897 Base-Backbone interact. energy: 0.210 local terms energy: -610.682275 where: bonds (distance) C4'-P energy: -114.725 bonds (distance) P-C4' energy: -112.297 flat angles C4'-P-C4' energy: -121.928 flat angles P-C4'-P energy: -93.776 tors. eta vs tors. theta energy: -167.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1951.267697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.267697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.267697 (E_RNA) where: Base-Base interactions energy: -1353.684 where: short stacking energy: -538.235 Base-Backbone interact. energy: -1.257 local terms energy: -596.326988 where: bonds (distance) C4'-P energy: -103.949 bonds (distance) P-C4' energy: -113.250 flat angles C4'-P-C4' energy: -126.266 flat angles P-C4'-P energy: -89.589 tors. eta vs tors. theta energy: -163.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1793.359308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.359308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.359308 (E_RNA) where: Base-Base interactions energy: -1201.258 where: short stacking energy: -529.235 Base-Backbone interact. energy: -2.878 local terms energy: -589.223203 where: bonds (distance) C4'-P energy: -116.281 bonds (distance) P-C4' energy: -120.540 flat angles C4'-P-C4' energy: -128.965 flat angles P-C4'-P energy: -66.275 tors. eta vs tors. theta energy: -157.163 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: 10 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1640.007336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.007336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.007336 (E_RNA) where: Base-Base interactions energy: -1089.994 where: short stacking energy: -484.991 Base-Backbone interact. energy: 0.271 local terms energy: -550.284968 where: bonds (distance) C4'-P energy: -119.592 bonds (distance) P-C4' energy: -99.300 flat angles C4'-P-C4' energy: -117.462 flat angles P-C4'-P energy: -71.050 tors. eta vs tors. theta energy: -142.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1453.280504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.280504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.280504 (E_RNA) where: Base-Base interactions energy: -958.950 where: short stacking energy: -429.020 Base-Backbone interact. energy: -1.761 local terms energy: -492.570117 where: bonds (distance) C4'-P energy: -92.007 bonds (distance) P-C4' energy: -106.729 flat angles C4'-P-C4' energy: -111.786 flat angles P-C4'-P energy: -73.816 tors. eta vs tors. theta energy: -108.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1338.404337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.404337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.404337 (E_RNA) where: Base-Base interactions energy: -841.679 where: short stacking energy: -357.857 Base-Backbone interact. energy: 1.228 local terms energy: -497.952915 where: bonds (distance) C4'-P energy: -100.680 bonds (distance) P-C4' energy: -123.931 flat angles C4'-P-C4' energy: -112.868 flat angles P-C4'-P energy: -63.207 tors. eta vs tors. theta energy: -97.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -921.490543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.490543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.490543 (E_RNA) where: Base-Base interactions energy: -532.464 where: short stacking energy: -265.996 Base-Backbone interact. energy: -3.850 local terms energy: -385.176413 where: bonds (distance) C4'-P energy: -92.640 bonds (distance) P-C4' energy: -87.033 flat angles C4'-P-C4' energy: -109.534 flat angles P-C4'-P energy: -66.014 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: 9, replica: 8 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -656.160444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.160444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.160444 (E_RNA) where: Base-Base interactions energy: -300.207 where: short stacking energy: -178.024 Base-Backbone interact. energy: 2.921 local terms energy: -358.874711 where: bonds (distance) C4'-P energy: -102.996 bonds (distance) P-C4' energy: -110.726 flat angles C4'-P-C4' energy: -81.571 flat angles P-C4'-P energy: -68.204 tors. eta vs tors. theta energy: 4.622 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: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -452.867940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.867940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.867940 (E_RNA) where: Base-Base interactions energy: -155.945 where: short stacking energy: -115.483 Base-Backbone interact. energy: 0.158 local terms energy: -297.080795 where: bonds (distance) C4'-P energy: -103.938 bonds (distance) P-C4' energy: -104.096 flat angles C4'-P-C4' energy: -78.481 flat angles P-C4'-P energy: -50.214 tors. eta vs tors. theta energy: 39.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2078.719997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.719997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.719997 (E_RNA) where: Base-Base interactions energy: -1416.810 where: short stacking energy: -595.996 Base-Backbone interact. energy: -2.672 local terms energy: -659.237592 where: bonds (distance) C4'-P energy: -107.382 bonds (distance) P-C4' energy: -118.054 flat angles C4'-P-C4' energy: -142.100 flat angles P-C4'-P energy: -97.607 tors. eta vs tors. theta energy: -194.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2005.660205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.660205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.660205 (E_RNA) where: Base-Base interactions energy: -1374.102 where: short stacking energy: -574.230 Base-Backbone interact. energy: 0.375 local terms energy: -631.932780 where: bonds (distance) C4'-P energy: -118.645 bonds (distance) P-C4' energy: -124.451 flat angles C4'-P-C4' energy: -135.455 flat angles P-C4'-P energy: -82.598 tors. eta vs tors. theta energy: -170.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1955.692776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.692776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.692776 (E_RNA) where: Base-Base interactions energy: -1321.551 where: short stacking energy: -516.779 Base-Backbone interact. energy: 1.454 local terms energy: -635.596163 where: bonds (distance) C4'-P energy: -132.453 bonds (distance) P-C4' energy: -110.121 flat angles C4'-P-C4' energy: -131.006 flat angles P-C4'-P energy: -92.292 tors. eta vs tors. theta energy: -169.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1742.478050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.478050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.478050 (E_RNA) where: Base-Base interactions energy: -1164.988 where: short stacking energy: -524.188 Base-Backbone interact. energy: -1.428 local terms energy: -576.062377 where: bonds (distance) C4'-P energy: -107.057 bonds (distance) P-C4' energy: -112.243 flat angles C4'-P-C4' energy: -122.925 flat angles P-C4'-P energy: -83.851 tors. eta vs tors. theta energy: -149.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1512.356070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.356070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.356070 (E_RNA) where: Base-Base interactions energy: -967.774 where: short stacking energy: -439.043 Base-Backbone interact. energy: -0.952 local terms energy: -543.629920 where: bonds (distance) C4'-P energy: -122.793 bonds (distance) P-C4' energy: -116.474 flat angles C4'-P-C4' energy: -110.077 flat angles P-C4'-P energy: -76.840 tors. eta vs tors. theta energy: -117.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1477.004690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.004690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.004690 (E_RNA) where: Base-Base interactions energy: -980.998 where: short stacking energy: -427.591 Base-Backbone interact. energy: -1.288 local terms energy: -494.718341 where: bonds (distance) C4'-P energy: -104.032 bonds (distance) P-C4' energy: -102.257 flat angles C4'-P-C4' energy: -113.204 flat angles P-C4'-P energy: -71.371 tors. eta vs tors. theta energy: -103.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1356.842760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.842760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.842760 (E_RNA) where: Base-Base interactions energy: -869.077 where: short stacking energy: -362.979 Base-Backbone interact. energy: 4.144 local terms energy: -491.909961 where: bonds (distance) C4'-P energy: -100.729 bonds (distance) P-C4' energy: -118.936 flat angles C4'-P-C4' energy: -104.936 flat angles P-C4'-P energy: -56.588 tors. eta vs tors. theta energy: -110.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -966.256538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.256538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.256538 (E_RNA) where: Base-Base interactions energy: -557.368 where: short stacking energy: -261.691 Base-Backbone interact. energy: 2.454 local terms energy: -411.342833 where: bonds (distance) C4'-P energy: -111.446 bonds (distance) P-C4' energy: -113.937 flat angles C4'-P-C4' energy: -91.378 flat angles P-C4'-P energy: -50.964 tors. eta vs tors. theta energy: -43.617 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: 8 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -695.159318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.159318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.159318 (E_RNA) where: Base-Base interactions energy: -373.627 where: short stacking energy: -196.606 Base-Backbone interact. energy: -1.558 local terms energy: -319.974484 where: bonds (distance) C4'-P energy: -88.047 bonds (distance) P-C4' energy: -93.689 flat angles C4'-P-C4' energy: -86.984 flat angles P-C4'-P energy: -49.180 tors. eta vs tors. theta energy: -2.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -484.335769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.335769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.335769 (E_RNA) where: Base-Base interactions energy: -182.730 where: short stacking energy: -150.231 Base-Backbone interact. energy: 3.885 local terms energy: -305.490734 where: bonds (distance) C4'-P energy: -103.994 bonds (distance) P-C4' energy: -93.240 flat angles C4'-P-C4' energy: -77.915 flat angles P-C4'-P energy: -47.143 tors. eta vs tors. theta energy: 16.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2063.170812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.170812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.170812 (E_RNA) where: Base-Base interactions energy: -1394.559 where: short stacking energy: -578.083 Base-Backbone interact. energy: -4.579 local terms energy: -664.033358 where: bonds (distance) C4'-P energy: -123.273 bonds (distance) P-C4' energy: -129.519 flat angles C4'-P-C4' energy: -137.816 flat angles P-C4'-P energy: -90.831 tors. eta vs tors. theta energy: -182.594 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: 2, replica: 1 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1981.568285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.568285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.568285 (E_RNA) where: Base-Base interactions energy: -1340.458 where: short stacking energy: -580.492 Base-Backbone interact. energy: -1.772 local terms energy: -639.338168 where: bonds (distance) C4'-P energy: -119.509 bonds (distance) P-C4' energy: -109.313 flat angles C4'-P-C4' energy: -151.970 flat angles P-C4'-P energy: -95.624 tors. eta vs tors. theta energy: -162.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1960.107968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.107968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.107968 (E_RNA) where: Base-Base interactions energy: -1368.437 where: short stacking energy: -564.318 Base-Backbone interact. energy: -0.134 local terms energy: -591.536247 where: bonds (distance) C4'-P energy: -86.729 bonds (distance) P-C4' energy: -110.246 flat angles C4'-P-C4' energy: -132.647 flat angles P-C4'-P energy: -93.313 tors. eta vs tors. theta energy: -168.602 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: 5 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1781.829778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.829778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.829778 (E_RNA) where: Base-Base interactions energy: -1200.212 where: short stacking energy: -541.235 Base-Backbone interact. energy: -2.375 local terms energy: -579.242732 where: bonds (distance) C4'-P energy: -95.817 bonds (distance) P-C4' energy: -116.741 flat angles C4'-P-C4' energy: -126.642 flat angles P-C4'-P energy: -89.244 tors. eta vs tors. theta energy: -150.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1545.155020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.155020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.155020 (E_RNA) where: Base-Base interactions energy: -971.457 where: short stacking energy: -445.023 Base-Backbone interact. energy: -0.516 local terms energy: -573.181892 where: bonds (distance) C4'-P energy: -107.910 bonds (distance) P-C4' energy: -123.691 flat angles C4'-P-C4' energy: -126.881 flat angles P-C4'-P energy: -87.227 tors. eta vs tors. theta energy: -127.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1544.920915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.920915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.920915 (E_RNA) where: Base-Base interactions energy: -1020.138 where: short stacking energy: -426.743 Base-Backbone interact. energy: 2.046 local terms energy: -526.829207 where: bonds (distance) C4'-P energy: -110.909 bonds (distance) P-C4' energy: -105.975 flat angles C4'-P-C4' energy: -103.669 flat angles P-C4'-P energy: -81.043 tors. eta vs tors. theta energy: -125.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1405.115068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.115068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.115068 (E_RNA) where: Base-Base interactions energy: -916.491 where: short stacking energy: -390.833 Base-Backbone interact. energy: -2.089 local terms energy: -486.535400 where: bonds (distance) C4'-P energy: -86.137 bonds (distance) P-C4' energy: -106.784 flat angles C4'-P-C4' energy: -120.319 flat angles P-C4'-P energy: -76.152 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: 8, replica: 6 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1000.102503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.102503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.102503 (E_RNA) where: Base-Base interactions energy: -590.672 where: short stacking energy: -266.055 Base-Backbone interact. energy: -2.465 local terms energy: -406.965069 where: bonds (distance) C4'-P energy: -104.566 bonds (distance) P-C4' energy: -121.826 flat angles C4'-P-C4' energy: -97.095 flat angles P-C4'-P energy: -54.770 tors. eta vs tors. theta energy: -28.708 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: 9, replica: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -716.113525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.113525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.113525 (E_RNA) where: Base-Base interactions energy: -381.042 where: short stacking energy: -222.333 Base-Backbone interact. energy: 0.943 local terms energy: -336.014068 where: bonds (distance) C4'-P energy: -81.702 bonds (distance) P-C4' energy: -104.823 flat angles C4'-P-C4' energy: -81.795 flat angles P-C4'-P energy: -42.362 tors. eta vs tors. theta energy: -25.333 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: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -476.045575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.045575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.045575 (E_RNA) where: Base-Base interactions energy: -168.705 where: short stacking energy: -164.892 Base-Backbone interact. energy: 2.908 local terms energy: -310.248833 where: bonds (distance) C4'-P energy: -95.770 bonds (distance) P-C4' energy: -110.351 flat angles C4'-P-C4' energy: -64.905 flat angles P-C4'-P energy: -40.089 tors. eta vs tors. theta energy: 0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2095.331146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.331146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.331146 (E_RNA) where: Base-Base interactions energy: -1422.786 where: short stacking energy: -582.711 Base-Backbone interact. energy: -0.935 local terms energy: -671.610006 where: bonds (distance) C4'-P energy: -123.080 bonds (distance) P-C4' energy: -114.702 flat angles C4'-P-C4' energy: -147.257 flat angles P-C4'-P energy: -98.723 tors. eta vs tors. theta energy: -187.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1990.178124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.178124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.178124 (E_RNA) where: Base-Base interactions energy: -1360.650 where: short stacking energy: -561.036 Base-Backbone interact. energy: -1.118 local terms energy: -628.410320 where: bonds (distance) C4'-P energy: -115.274 bonds (distance) P-C4' energy: -126.214 flat angles C4'-P-C4' energy: -134.823 flat angles P-C4'-P energy: -92.747 tors. eta vs tors. theta energy: -159.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1960.952229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.952229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.952229 (E_RNA) where: Base-Base interactions energy: -1335.617 where: short stacking energy: -555.403 Base-Backbone interact. energy: 0.276 local terms energy: -625.610678 where: bonds (distance) C4'-P energy: -119.727 bonds (distance) P-C4' energy: -118.431 flat angles C4'-P-C4' energy: -130.151 flat angles P-C4'-P energy: -83.651 tors. eta vs tors. theta energy: -173.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1831.922135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.922135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.922135 (E_RNA) where: Base-Base interactions energy: -1226.451 where: short stacking energy: -518.117 Base-Backbone interact. energy: -5.105 local terms energy: -600.366145 where: bonds (distance) C4'-P energy: -112.318 bonds (distance) P-C4' energy: -116.158 flat angles C4'-P-C4' energy: -140.778 flat angles P-C4'-P energy: -76.473 tors. eta vs tors. theta energy: -154.639 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: 10 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1611.382672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.382672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.382672 (E_RNA) where: Base-Base interactions energy: -1083.415 where: short stacking energy: -460.098 Base-Backbone interact. energy: -2.186 local terms energy: -525.782323 where: bonds (distance) C4'-P energy: -101.082 bonds (distance) P-C4' energy: -105.350 flat angles C4'-P-C4' energy: -121.236 flat angles P-C4'-P energy: -76.573 tors. eta vs tors. theta energy: -121.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1527.941840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.941840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.941840 (E_RNA) where: Base-Base interactions energy: -972.816 where: short stacking energy: -430.030 Base-Backbone interact. energy: -1.326 local terms energy: -553.800106 where: bonds (distance) C4'-P energy: -118.027 bonds (distance) P-C4' energy: -115.494 flat angles C4'-P-C4' energy: -110.191 flat angles P-C4'-P energy: -86.035 tors. eta vs tors. theta energy: -124.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1360.731717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.731717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.731717 (E_RNA) where: Base-Base interactions energy: -852.572 where: short stacking energy: -389.440 Base-Backbone interact. energy: -2.368 local terms energy: -505.791494 where: bonds (distance) C4'-P energy: -102.554 bonds (distance) P-C4' energy: -108.017 flat angles C4'-P-C4' energy: -113.938 flat angles P-C4'-P energy: -72.680 tors. eta vs tors. theta energy: -108.602 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: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -939.980071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.980071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.980071 (E_RNA) where: Base-Base interactions energy: -552.436 where: short stacking energy: -250.758 Base-Backbone interact. energy: -3.238 local terms energy: -384.306844 where: bonds (distance) C4'-P energy: -106.821 bonds (distance) P-C4' energy: -107.151 flat angles C4'-P-C4' energy: -81.676 flat angles P-C4'-P energy: -54.173 tors. eta vs tors. theta energy: -34.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -717.916275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.916275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.916275 (E_RNA) where: Base-Base interactions energy: -363.135 where: short stacking energy: -209.054 Base-Backbone interact. energy: 1.411 local terms energy: -356.192478 where: bonds (distance) C4'-P energy: -97.908 bonds (distance) P-C4' energy: -98.154 flat angles C4'-P-C4' energy: -95.435 flat angles P-C4'-P energy: -46.424 tors. eta vs tors. theta energy: -18.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -484.531168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.531168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.531168 (E_RNA) where: Base-Base interactions energy: -159.748 where: short stacking energy: -125.290 Base-Backbone interact. energy: 1.060 local terms energy: -325.843254 where: bonds (distance) C4'-P energy: -100.937 bonds (distance) P-C4' energy: -104.191 flat angles C4'-P-C4' energy: -84.715 flat angles P-C4'-P energy: -43.652 tors. eta vs tors. theta energy: 7.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2115.904856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.904856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.904856 (E_RNA) where: Base-Base interactions energy: -1433.144 where: short stacking energy: -594.936 Base-Backbone interact. energy: -1.175 local terms energy: -681.585551 where: bonds (distance) C4'-P energy: -116.507 bonds (distance) P-C4' energy: -126.716 flat angles C4'-P-C4' energy: -144.663 flat angles P-C4'-P energy: -108.152 tors. eta vs tors. theta energy: -185.548 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: 3 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1984.972370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.972370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.972370 (E_RNA) where: Base-Base interactions energy: -1365.222 where: short stacking energy: -574.604 Base-Backbone interact. energy: -2.597 local terms energy: -617.152931 where: bonds (distance) C4'-P energy: -110.557 bonds (distance) P-C4' energy: -118.315 flat angles C4'-P-C4' energy: -141.243 flat angles P-C4'-P energy: -85.343 tors. eta vs tors. theta energy: -161.694 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: 3, replica: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1942.128924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.128924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.128924 (E_RNA) where: Base-Base interactions energy: -1365.540 where: short stacking energy: -552.677 Base-Backbone interact. energy: 3.077 local terms energy: -579.666144 where: bonds (distance) C4'-P energy: -106.514 bonds (distance) P-C4' energy: -110.662 flat angles C4'-P-C4' energy: -124.860 flat angles P-C4'-P energy: -82.304 tors. eta vs tors. theta energy: -155.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1822.080563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.080563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.080563 (E_RNA) where: Base-Base interactions energy: -1204.516 where: short stacking energy: -497.206 Base-Backbone interact. energy: -2.816 local terms energy: -614.748893 where: bonds (distance) C4'-P energy: -125.319 bonds (distance) P-C4' energy: -109.484 flat angles C4'-P-C4' energy: -133.384 flat angles P-C4'-P energy: -79.337 tors. eta vs tors. theta energy: -167.225 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: 5, replica: 10 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1618.329342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.329342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.329342 (E_RNA) where: Base-Base interactions energy: -1069.162 where: short stacking energy: -443.570 Base-Backbone interact. energy: -0.674 local terms energy: -548.492809 where: bonds (distance) C4'-P energy: -125.603 bonds (distance) P-C4' energy: -123.442 flat angles C4'-P-C4' energy: -118.404 flat angles P-C4'-P energy: -60.426 tors. eta vs tors. theta energy: -120.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1467.069666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.069666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.069666 (E_RNA) where: Base-Base interactions energy: -969.079 where: short stacking energy: -430.898 Base-Backbone interact. energy: 1.897 local terms energy: -499.888284 where: bonds (distance) C4'-P energy: -103.009 bonds (distance) P-C4' energy: -100.118 flat angles C4'-P-C4' energy: -119.866 flat angles P-C4'-P energy: -59.594 tors. eta vs tors. theta energy: -117.300 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: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1373.111467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.111467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.111467 (E_RNA) where: Base-Base interactions energy: -877.218 where: short stacking energy: -406.457 Base-Backbone interact. energy: -1.432 local terms energy: -494.462131 where: bonds (distance) C4'-P energy: -78.682 bonds (distance) P-C4' energy: -103.717 flat angles C4'-P-C4' energy: -126.451 flat angles P-C4'-P energy: -74.496 tors. eta vs tors. theta energy: -111.116 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: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -951.291182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.291182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.291182 (E_RNA) where: Base-Base interactions energy: -508.770 where: short stacking energy: -243.794 Base-Backbone interact. energy: -2.618 local terms energy: -439.903227 where: bonds (distance) C4'-P energy: -125.017 bonds (distance) P-C4' energy: -109.827 flat angles C4'-P-C4' energy: -102.980 flat angles P-C4'-P energy: -67.259 tors. eta vs tors. theta energy: -34.820 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: 8 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -718.509884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.509884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.509884 (E_RNA) where: Base-Base interactions energy: -374.172 where: short stacking energy: -188.972 Base-Backbone interact. energy: -2.175 local terms energy: -342.162130 where: bonds (distance) C4'-P energy: -90.399 bonds (distance) P-C4' energy: -107.483 flat angles C4'-P-C4' energy: -83.478 flat angles P-C4'-P energy: -51.238 tors. eta vs tors. theta energy: -9.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -482.200317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.200317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.200317 (E_RNA) where: Base-Base interactions energy: -139.773 where: short stacking energy: -119.195 Base-Backbone interact. energy: -1.759 local terms energy: -340.668177 where: bonds (distance) C4'-P energy: -107.985 bonds (distance) P-C4' energy: -95.836 flat angles C4'-P-C4' energy: -101.496 flat angles P-C4'-P energy: -57.051 tors. eta vs tors. theta energy: 21.700 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: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2126.269723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.269723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.269723 (E_RNA) where: Base-Base interactions energy: -1455.598 where: short stacking energy: -623.307 Base-Backbone interact. energy: -1.076 local terms energy: -669.595711 where: bonds (distance) C4'-P energy: -124.657 bonds (distance) P-C4' energy: -112.927 flat angles C4'-P-C4' energy: -139.596 flat angles P-C4'-P energy: -105.329 tors. eta vs tors. theta energy: -187.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1952.153165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.153165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.153165 (E_RNA) where: Base-Base interactions energy: -1351.885 where: short stacking energy: -559.360 Base-Backbone interact. energy: -1.061 local terms energy: -599.207893 where: bonds (distance) C4'-P energy: -116.095 bonds (distance) P-C4' energy: -130.562 flat angles C4'-P-C4' energy: -125.228 flat angles P-C4'-P energy: -67.379 tors. eta vs tors. theta energy: -159.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1976.707157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.707157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.707157 (E_RNA) where: Base-Base interactions energy: -1389.173 where: short stacking energy: -563.378 Base-Backbone interact. energy: -2.231 local terms energy: -585.303628 where: bonds (distance) C4'-P energy: -105.945 bonds (distance) P-C4' energy: -122.048 flat angles C4'-P-C4' energy: -133.516 flat angles P-C4'-P energy: -75.206 tors. eta vs tors. theta energy: -148.588 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: 5 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1795.470748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.470748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.470748 (E_RNA) where: Base-Base interactions energy: -1226.104 where: short stacking energy: -513.502 Base-Backbone interact. energy: -1.489 local terms energy: -567.877742 where: bonds (distance) C4'-P energy: -113.433 bonds (distance) P-C4' energy: -98.079 flat angles C4'-P-C4' energy: -121.585 flat angles P-C4'-P energy: -79.001 tors. eta vs tors. theta energy: -155.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1626.435673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.435673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.435673 (E_RNA) where: Base-Base interactions energy: -1084.168 where: short stacking energy: -460.066 Base-Backbone interact. energy: -2.208 local terms energy: -540.059730 where: bonds (distance) C4'-P energy: -103.101 bonds (distance) P-C4' energy: -104.102 flat angles C4'-P-C4' energy: -119.938 flat angles P-C4'-P energy: -77.680 tors. eta vs tors. theta energy: -135.240 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: 2 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1462.665315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.665315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.665315 (E_RNA) where: Base-Base interactions energy: -949.423 where: short stacking energy: -437.625 Base-Backbone interact. energy: -0.810 local terms energy: -512.432586 where: bonds (distance) C4'-P energy: -117.229 bonds (distance) P-C4' energy: -104.210 flat angles C4'-P-C4' energy: -106.982 flat angles P-C4'-P energy: -67.470 tors. eta vs tors. theta energy: -116.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1314.110402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.110402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.110402 (E_RNA) where: Base-Base interactions energy: -820.376 where: short stacking energy: -347.983 Base-Backbone interact. energy: -2.773 local terms energy: -490.962053 where: bonds (distance) C4'-P energy: -103.492 bonds (distance) P-C4' energy: -111.458 flat angles C4'-P-C4' energy: -117.983 flat angles P-C4'-P energy: -78.485 tors. eta vs tors. theta energy: -79.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1004.477360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.477360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.477360 (E_RNA) where: Base-Base interactions energy: -569.699 where: short stacking energy: -291.851 Base-Backbone interact. energy: -1.268 local terms energy: -433.510071 where: bonds (distance) C4'-P energy: -91.860 bonds (distance) P-C4' energy: -106.699 flat angles C4'-P-C4' energy: -116.241 flat angles P-C4'-P energy: -44.714 tors. eta vs tors. theta energy: -73.996 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: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -824.875967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.875967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.875967 (E_RNA) where: Base-Base interactions energy: -475.563 where: short stacking energy: -225.507 Base-Backbone interact. energy: 6.220 local terms energy: -355.533617 where: bonds (distance) C4'-P energy: -95.031 bonds (distance) P-C4' energy: -91.925 flat angles C4'-P-C4' energy: -80.488 flat angles P-C4'-P energy: -55.300 tors. eta vs tors. theta energy: -32.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -478.285146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.285146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.285146 (E_RNA) where: Base-Base interactions energy: -165.460 where: short stacking energy: -124.163 Base-Backbone interact. energy: -2.718 local terms energy: -310.107947 where: bonds (distance) C4'-P energy: -90.914 bonds (distance) P-C4' energy: -115.078 flat angles C4'-P-C4' energy: -89.690 flat angles P-C4'-P energy: -51.109 tors. eta vs tors. theta energy: 36.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2097.897438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.897438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.897438 (E_RNA) where: Base-Base interactions energy: -1412.261 where: short stacking energy: -588.801 Base-Backbone interact. energy: -4.586 local terms energy: -681.050206 where: bonds (distance) C4'-P energy: -129.058 bonds (distance) P-C4' energy: -123.842 flat angles C4'-P-C4' energy: -139.654 flat angles P-C4'-P energy: -96.528 tors. eta vs tors. theta energy: -191.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1972.557265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.557265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.557265 (E_RNA) where: Base-Base interactions energy: -1335.825 where: short stacking energy: -545.835 Base-Backbone interact. energy: -1.926 local terms energy: -634.806684 where: bonds (distance) C4'-P energy: -110.861 bonds (distance) P-C4' energy: -122.652 flat angles C4'-P-C4' energy: -137.073 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -172.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1938.624811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.624811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.624811 (E_RNA) where: Base-Base interactions energy: -1358.685 where: short stacking energy: -548.388 Base-Backbone interact. energy: 0.790 local terms energy: -580.729848 where: bonds (distance) C4'-P energy: -110.135 bonds (distance) P-C4' energy: -113.160 flat angles C4'-P-C4' energy: -125.421 flat angles P-C4'-P energy: -86.380 tors. eta vs tors. theta energy: -145.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1841.832155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.832155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.832155 (E_RNA) where: Base-Base interactions energy: -1256.671 where: short stacking energy: -513.092 Base-Backbone interact. energy: 0.493 local terms energy: -585.653966 where: bonds (distance) C4'-P energy: -104.565 bonds (distance) P-C4' energy: -112.249 flat angles C4'-P-C4' energy: -129.555 flat angles P-C4'-P energy: -78.320 tors. eta vs tors. theta energy: -160.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1629.791313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.791313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.791313 (E_RNA) where: Base-Base interactions energy: -1090.944 where: short stacking energy: -479.169 Base-Backbone interact. energy: -0.753 local terms energy: -538.094453 where: bonds (distance) C4'-P energy: -99.722 bonds (distance) P-C4' energy: -104.607 flat angles C4'-P-C4' energy: -123.855 flat angles P-C4'-P energy: -85.850 tors. eta vs tors. theta energy: -124.060 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: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1462.791744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.791744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.791744 (E_RNA) where: Base-Base interactions energy: -948.257 where: short stacking energy: -420.610 Base-Backbone interact. energy: -3.719 local terms energy: -510.815403 where: bonds (distance) C4'-P energy: -114.568 bonds (distance) P-C4' energy: -115.557 flat angles C4'-P-C4' energy: -102.929 flat angles P-C4'-P energy: -80.797 tors. eta vs tors. theta energy: -96.965 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: 199 Temperature: 1.200000 Total energy: -1338.408731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.408731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.408731 (E_RNA) where: Base-Base interactions energy: -825.027 where: short stacking energy: -373.566 Base-Backbone interact. energy: 2.329 local terms energy: -515.711353 where: bonds (distance) C4'-P energy: -103.508 bonds (distance) P-C4' energy: -126.669 flat angles C4'-P-C4' energy: -109.540 flat angles P-C4'-P energy: -68.197 tors. eta vs tors. theta energy: -107.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -936.256659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.256659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.256659 (E_RNA) where: Base-Base interactions energy: -536.197 where: short stacking energy: -265.787 Base-Backbone interact. energy: -1.571 local terms energy: -398.488734 where: bonds (distance) C4'-P energy: -106.656 bonds (distance) P-C4' energy: -114.411 flat angles C4'-P-C4' energy: -94.652 flat angles P-C4'-P energy: -57.477 tors. eta vs tors. theta energy: -25.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -780.521562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.521562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.521562 (E_RNA) where: Base-Base interactions energy: -441.872 where: short stacking energy: -225.201 Base-Backbone interact. energy: -1.650 local terms energy: -337.000098 where: bonds (distance) C4'-P energy: -100.357 bonds (distance) P-C4' energy: -103.728 flat angles C4'-P-C4' energy: -91.843 flat angles P-C4'-P energy: -26.171 tors. eta vs tors. theta energy: -14.901 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: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -468.539108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.539108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.539108 (E_RNA) where: Base-Base interactions energy: -120.285 where: short stacking energy: -106.424 Base-Backbone interact. energy: 2.562 local terms energy: -350.816726 where: bonds (distance) C4'-P energy: -109.739 bonds (distance) P-C4' energy: -106.212 flat angles C4'-P-C4' energy: -89.085 flat angles P-C4'-P energy: -57.990 tors. eta vs tors. theta energy: 12.210 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: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2116.623997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.623997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.623997 (E_RNA) where: Base-Base interactions energy: -1419.623 where: short stacking energy: -592.734 Base-Backbone interact. energy: -1.742 local terms energy: -695.259160 where: bonds (distance) C4'-P energy: -127.726 bonds (distance) P-C4' energy: -131.034 flat angles C4'-P-C4' energy: -146.161 flat angles P-C4'-P energy: -104.873 tors. eta vs tors. theta energy: -185.464 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: 3 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1967.388374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.388374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.388374 (E_RNA) where: Base-Base interactions energy: -1327.799 where: short stacking energy: -536.605 Base-Backbone interact. energy: -1.636 local terms energy: -637.952956 where: bonds (distance) C4'-P energy: -126.174 bonds (distance) P-C4' energy: -132.810 flat angles C4'-P-C4' energy: -129.385 flat angles P-C4'-P energy: -87.411 tors. eta vs tors. theta energy: -162.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1897.062070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.062070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.062070 (E_RNA) where: Base-Base interactions energy: -1322.910 where: short stacking energy: -513.763 Base-Backbone interact. energy: -3.319 local terms energy: -570.833431 where: bonds (distance) C4'-P energy: -123.484 bonds (distance) P-C4' energy: -116.022 flat angles C4'-P-C4' energy: -119.353 flat angles P-C4'-P energy: -77.866 tors. eta vs tors. theta energy: -134.109 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: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1828.343466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.343466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.343466 (E_RNA) where: Base-Base interactions energy: -1240.358 where: short stacking energy: -529.701 Base-Backbone interact. energy: -2.907 local terms energy: -585.078709 where: bonds (distance) C4'-P energy: -102.191 bonds (distance) P-C4' energy: -109.541 flat angles C4'-P-C4' energy: -136.494 flat angles P-C4'-P energy: -83.688 tors. eta vs tors. theta energy: -153.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1655.780666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.780666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.780666 (E_RNA) where: Base-Base interactions energy: -1114.103 where: short stacking energy: -465.597 Base-Backbone interact. energy: -2.999 local terms energy: -538.678297 where: bonds (distance) C4'-P energy: -106.319 bonds (distance) P-C4' energy: -118.932 flat angles C4'-P-C4' energy: -97.787 flat angles P-C4'-P energy: -85.691 tors. eta vs tors. theta energy: -129.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1504.841483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.841483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.841483 (E_RNA) where: Base-Base interactions energy: -983.437 where: short stacking energy: -409.744 Base-Backbone interact. energy: 0.007 local terms energy: -521.411985 where: bonds (distance) C4'-P energy: -101.318 bonds (distance) P-C4' energy: -119.893 flat angles C4'-P-C4' energy: -110.886 flat angles P-C4'-P energy: -83.298 tors. eta vs tors. theta energy: -106.016 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: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1321.686801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.686801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.686801 (E_RNA) where: Base-Base interactions energy: -837.264 where: short stacking energy: -390.905 Base-Backbone interact. energy: 0.741 local terms energy: -485.163682 where: bonds (distance) C4'-P energy: -103.564 bonds (distance) P-C4' energy: -100.716 flat angles C4'-P-C4' energy: -112.293 flat angles P-C4'-P energy: -68.959 tors. eta vs tors. theta energy: -99.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -992.418705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.418705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.418705 (E_RNA) where: Base-Base interactions energy: -577.086 where: short stacking energy: -294.882 Base-Backbone interact. energy: -3.132 local terms energy: -412.201283 where: bonds (distance) C4'-P energy: -110.105 bonds (distance) P-C4' energy: -98.718 flat angles C4'-P-C4' energy: -86.006 flat angles P-C4'-P energy: -60.099 tors. eta vs tors. theta energy: -57.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -883.349893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.349893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.349893 (E_RNA) where: Base-Base interactions energy: -496.013 where: short stacking energy: -260.296 Base-Backbone interact. energy: 4.511 local terms energy: -391.847540 where: bonds (distance) C4'-P energy: -91.980 bonds (distance) P-C4' energy: -99.297 flat angles C4'-P-C4' energy: -79.826 flat angles P-C4'-P energy: -70.344 tors. eta vs tors. theta energy: -50.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -482.552427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.552427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.552427 (E_RNA) where: Base-Base interactions energy: -170.640 where: short stacking energy: -147.143 Base-Backbone interact. energy: -0.527 local terms energy: -311.385624 where: bonds (distance) C4'-P energy: -89.944 bonds (distance) P-C4' energy: -103.372 flat angles C4'-P-C4' energy: -82.654 flat angles P-C4'-P energy: -53.208 tors. eta vs tors. theta energy: 17.793 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: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2126.262167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.262167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.262167 (E_RNA) where: Base-Base interactions energy: -1434.904 where: short stacking energy: -595.138 Base-Backbone interact. energy: 2.034 local terms energy: -693.391479 where: bonds (distance) C4'-P energy: -129.498 bonds (distance) P-C4' energy: -118.822 flat angles C4'-P-C4' energy: -147.126 flat angles P-C4'-P energy: -104.252 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: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1983.416408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.416408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.416408 (E_RNA) where: Base-Base interactions energy: -1340.026 where: short stacking energy: -557.655 Base-Backbone interact. energy: 1.689 local terms energy: -645.079841 where: bonds (distance) C4'-P energy: -127.525 bonds (distance) P-C4' energy: -108.228 flat angles C4'-P-C4' energy: -138.185 flat angles P-C4'-P energy: -99.042 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: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1915.880220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.880220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.880220 (E_RNA) where: Base-Base interactions energy: -1324.204 where: short stacking energy: -532.805 Base-Backbone interact. energy: -4.864 local terms energy: -586.812238 where: bonds (distance) C4'-P energy: -117.479 bonds (distance) P-C4' energy: -115.983 flat angles C4'-P-C4' energy: -125.011 flat angles P-C4'-P energy: -77.124 tors. eta vs tors. theta energy: -151.215 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: 5 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1754.388859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.388859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.388859 (E_RNA) where: Base-Base interactions energy: -1182.592 where: short stacking energy: -471.935 Base-Backbone interact. energy: -2.172 local terms energy: -569.625489 where: bonds (distance) C4'-P energy: -98.591 bonds (distance) P-C4' energy: -119.325 flat angles C4'-P-C4' energy: -130.418 flat angles P-C4'-P energy: -83.320 tors. eta vs tors. theta energy: -137.971 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: 10 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1695.307807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.307807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.307807 (E_RNA) where: Base-Base interactions energy: -1168.573 where: short stacking energy: -511.992 Base-Backbone interact. energy: 0.847 local terms energy: -527.581604 where: bonds (distance) C4'-P energy: -91.896 bonds (distance) P-C4' energy: -103.866 flat angles C4'-P-C4' energy: -113.400 flat angles P-C4'-P energy: -70.739 tors. eta vs tors. theta energy: -147.681 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: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1473.277329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.277329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.277329 (E_RNA) where: Base-Base interactions energy: -952.872 where: short stacking energy: -406.935 Base-Backbone interact. energy: -3.023 local terms energy: -517.382287 where: bonds (distance) C4'-P energy: -101.739 bonds (distance) P-C4' energy: -116.743 flat angles C4'-P-C4' energy: -103.197 flat angles P-C4'-P energy: -80.511 tors. eta vs tors. theta energy: -115.192 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: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1354.123618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.123618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.123618 (E_RNA) where: Base-Base interactions energy: -871.505 where: short stacking energy: -406.327 Base-Backbone interact. energy: -0.143 local terms energy: -482.476237 where: bonds (distance) C4'-P energy: -83.167 bonds (distance) P-C4' energy: -118.604 flat angles C4'-P-C4' energy: -113.913 flat angles P-C4'-P energy: -67.670 tors. eta vs tors. theta energy: -99.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -946.247622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.247622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.247622 (E_RNA) where: Base-Base interactions energy: -544.743 where: short stacking energy: -289.318 Base-Backbone interact. energy: 1.228 local terms energy: -402.732254 where: bonds (distance) C4'-P energy: -96.823 bonds (distance) P-C4' energy: -113.874 flat angles C4'-P-C4' energy: -105.016 flat angles P-C4'-P energy: -58.750 tors. eta vs tors. theta energy: -28.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -772.632590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.632590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.632590 (E_RNA) where: Base-Base interactions energy: -392.277 where: short stacking energy: -210.414 Base-Backbone interact. energy: 1.668 local terms energy: -382.023228 where: bonds (distance) C4'-P energy: -96.483 bonds (distance) P-C4' energy: -108.046 flat angles C4'-P-C4' energy: -88.395 flat angles P-C4'-P energy: -80.324 tors. eta vs tors. theta energy: -8.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -485.641358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.641358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.641358 (E_RNA) where: Base-Base interactions energy: -202.375 where: short stacking energy: -139.769 Base-Backbone interact. energy: 9.759 local terms energy: -293.024988 where: bonds (distance) C4'-P energy: -99.216 bonds (distance) P-C4' energy: -106.356 flat angles C4'-P-C4' energy: -68.743 flat angles P-C4'-P energy: -36.396 tors. eta vs tors. theta energy: 17.687 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: 7 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2106.530233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.530233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.530233 (E_RNA) where: Base-Base interactions energy: -1457.947 where: short stacking energy: -615.030 Base-Backbone interact. energy: -1.120 local terms energy: -647.463723 where: bonds (distance) C4'-P energy: -98.115 bonds (distance) P-C4' energy: -131.994 flat angles C4'-P-C4' energy: -139.696 flat angles P-C4'-P energy: -85.109 tors. eta vs tors. theta energy: -192.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2022.447574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.447574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.447574 (E_RNA) where: Base-Base interactions energy: -1387.575 where: short stacking energy: -591.598 Base-Backbone interact. energy: -1.124 local terms energy: -633.748624 where: bonds (distance) C4'-P energy: -113.185 bonds (distance) P-C4' energy: -116.766 flat angles C4'-P-C4' energy: -139.401 flat angles P-C4'-P energy: -89.759 tors. eta vs tors. theta energy: -174.638 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: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1962.934203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.934203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.934203 (E_RNA) where: Base-Base interactions energy: -1363.839 where: short stacking energy: -557.591 Base-Backbone interact. energy: -1.382 local terms energy: -597.712989 where: bonds (distance) C4'-P energy: -115.281 bonds (distance) P-C4' energy: -108.973 flat angles C4'-P-C4' energy: -120.169 flat angles P-C4'-P energy: -90.624 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: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1873.017782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.017782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.017782 (E_RNA) where: Base-Base interactions energy: -1283.114 where: short stacking energy: -565.337 Base-Backbone interact. energy: -0.626 local terms energy: -589.278478 where: bonds (distance) C4'-P energy: -115.705 bonds (distance) P-C4' energy: -108.830 flat angles C4'-P-C4' energy: -121.649 flat angles P-C4'-P energy: -80.010 tors. eta vs tors. theta energy: -163.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1686.998196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.998196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.998196 (E_RNA) where: Base-Base interactions energy: -1110.414 where: short stacking energy: -490.213 Base-Backbone interact. energy: -3.257 local terms energy: -573.327360 where: bonds (distance) C4'-P energy: -99.992 bonds (distance) P-C4' energy: -112.312 flat angles C4'-P-C4' energy: -114.644 flat angles P-C4'-P energy: -86.466 tors. eta vs tors. theta energy: -159.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1521.892170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.892170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.892170 (E_RNA) where: Base-Base interactions energy: -986.434 where: short stacking energy: -439.995 Base-Backbone interact. energy: 2.242 local terms energy: -537.699820 where: bonds (distance) C4'-P energy: -117.036 bonds (distance) P-C4' energy: -120.342 flat angles C4'-P-C4' energy: -92.308 flat angles P-C4'-P energy: -84.125 tors. eta vs tors. theta energy: -123.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1366.864121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.864121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.864121 (E_RNA) where: Base-Base interactions energy: -888.198 where: short stacking energy: -393.285 Base-Backbone interact. energy: -2.956 local terms energy: -475.709434 where: bonds (distance) C4'-P energy: -102.091 bonds (distance) P-C4' energy: -104.266 flat angles C4'-P-C4' energy: -104.489 flat angles P-C4'-P energy: -62.822 tors. eta vs tors. theta energy: -102.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -948.575061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.575061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.575061 (E_RNA) where: Base-Base interactions energy: -528.842 where: short stacking energy: -274.150 Base-Backbone interact. energy: 1.271 local terms energy: -421.003990 where: bonds (distance) C4'-P energy: -102.323 bonds (distance) P-C4' energy: -125.169 flat angles C4'-P-C4' energy: -85.410 flat angles P-C4'-P energy: -60.104 tors. eta vs tors. theta energy: -47.998 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: 8 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -706.926317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.926317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.926317 (E_RNA) where: Base-Base interactions energy: -374.728 where: short stacking energy: -201.682 Base-Backbone interact. energy: -0.428 local terms energy: -331.769890 where: bonds (distance) C4'-P energy: -81.525 bonds (distance) P-C4' energy: -102.270 flat angles C4'-P-C4' energy: -86.577 flat angles P-C4'-P energy: -58.546 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -495.751446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.751446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.751446 (E_RNA) where: Base-Base interactions energy: -184.896 where: short stacking energy: -125.422 Base-Backbone interact. energy: 0.045 local terms energy: -310.899898 where: bonds (distance) C4'-P energy: -106.324 bonds (distance) P-C4' energy: -97.447 flat angles C4'-P-C4' energy: -70.241 flat angles P-C4'-P energy: -49.968 tors. eta vs tors. theta energy: 13.080 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: 7 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2114.699933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.699933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.699933 (E_RNA) where: Base-Base interactions energy: -1444.598 where: short stacking energy: -592.865 Base-Backbone interact. energy: -1.089 local terms energy: -669.012733 where: bonds (distance) C4'-P energy: -123.492 bonds (distance) P-C4' energy: -126.470 flat angles C4'-P-C4' energy: -140.743 flat angles P-C4'-P energy: -86.891 tors. eta vs tors. theta energy: -191.417 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: 2, replica: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2034.336010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.336010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.336010 (E_RNA) where: Base-Base interactions energy: -1401.470 where: short stacking energy: -563.836 Base-Backbone interact. energy: -3.721 local terms energy: -629.144738 where: bonds (distance) C4'-P energy: -124.436 bonds (distance) P-C4' energy: -108.170 flat angles C4'-P-C4' energy: -141.166 flat angles P-C4'-P energy: -95.447 tors. eta vs tors. theta energy: -159.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1970.131402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.131402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.131402 (E_RNA) where: Base-Base interactions energy: -1337.865 where: short stacking energy: -548.810 Base-Backbone interact. energy: 4.398 local terms energy: -636.664031 where: bonds (distance) C4'-P energy: -106.290 bonds (distance) P-C4' energy: -125.936 flat angles C4'-P-C4' energy: -137.579 flat angles P-C4'-P energy: -90.154 tors. eta vs tors. theta energy: -176.704 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: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1857.056177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.056177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.056177 (E_RNA) where: Base-Base interactions energy: -1251.628 where: short stacking energy: -531.309 Base-Backbone interact. energy: -3.846 local terms energy: -601.582937 where: bonds (distance) C4'-P energy: -104.171 bonds (distance) P-C4' energy: -120.730 flat angles C4'-P-C4' energy: -135.097 flat angles P-C4'-P energy: -83.100 tors. eta vs tors. theta energy: -158.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1652.057123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.057123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.057123 (E_RNA) where: Base-Base interactions energy: -1112.536 where: short stacking energy: -468.978 Base-Backbone interact. energy: -2.101 local terms energy: -537.420374 where: bonds (distance) C4'-P energy: -95.192 bonds (distance) P-C4' energy: -106.735 flat angles C4'-P-C4' energy: -118.355 flat angles P-C4'-P energy: -85.113 tors. eta vs tors. theta energy: -132.026 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: 4 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1411.757653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.757653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.757653 (E_RNA) where: Base-Base interactions energy: -886.274 where: short stacking energy: -407.041 Base-Backbone interact. energy: -0.700 local terms energy: -524.783920 where: bonds (distance) C4'-P energy: -112.355 bonds (distance) P-C4' energy: -114.921 flat angles C4'-P-C4' energy: -117.147 flat angles P-C4'-P energy: -85.954 tors. eta vs tors. theta energy: -94.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1469.703323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.703323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.703323 (E_RNA) where: Base-Base interactions energy: -940.458 where: short stacking energy: -401.074 Base-Backbone interact. energy: -2.228 local terms energy: -527.016466 where: bonds (distance) C4'-P energy: -116.359 bonds (distance) P-C4' energy: -121.465 flat angles C4'-P-C4' energy: -105.974 flat angles P-C4'-P energy: -74.132 tors. eta vs tors. theta energy: -109.086 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: 6 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -931.513549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.513549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.513549 (E_RNA) where: Base-Base interactions energy: -506.612 where: short stacking energy: -264.944 Base-Backbone interact. energy: -0.765 local terms energy: -424.136378 where: bonds (distance) C4'-P energy: -102.249 bonds (distance) P-C4' energy: -104.976 flat angles C4'-P-C4' energy: -98.194 flat angles P-C4'-P energy: -70.324 tors. eta vs tors. theta energy: -48.393 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: 8 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -647.956262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.956262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.956262 (E_RNA) where: Base-Base interactions energy: -328.816 where: short stacking energy: -183.615 Base-Backbone interact. energy: 1.586 local terms energy: -320.726636 where: bonds (distance) C4'-P energy: -80.358 bonds (distance) P-C4' energy: -97.820 flat angles C4'-P-C4' energy: -92.634 flat angles P-C4'-P energy: -53.297 tors. eta vs tors. theta energy: 3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -481.284609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.284609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.284609 (E_RNA) where: Base-Base interactions energy: -194.742 where: short stacking energy: -131.343 Base-Backbone interact. energy: 10.921 local terms energy: -297.463171 where: bonds (distance) C4'-P energy: -104.020 bonds (distance) P-C4' energy: -89.069 flat angles C4'-P-C4' energy: -76.083 flat angles P-C4'-P energy: -47.105 tors. eta vs tors. theta energy: 18.814 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: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2114.458271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.458271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.458271 (E_RNA) where: Base-Base interactions energy: -1440.332 where: short stacking energy: -594.995 Base-Backbone interact. energy: -1.438 local terms energy: -672.688001 where: bonds (distance) C4'-P energy: -121.826 bonds (distance) P-C4' energy: -127.153 flat angles C4'-P-C4' energy: -143.117 flat angles P-C4'-P energy: -96.998 tors. eta vs tors. theta energy: -183.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2025.790742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.790742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.790742 (E_RNA) where: Base-Base interactions energy: -1390.331 where: short stacking energy: -585.503 Base-Backbone interact. energy: -4.188 local terms energy: -631.272338 where: bonds (distance) C4'-P energy: -122.604 bonds (distance) P-C4' energy: -121.536 flat angles C4'-P-C4' energy: -130.365 flat angles P-C4'-P energy: -82.509 tors. eta vs tors. theta energy: -174.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1943.288258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.288258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.288258 (E_RNA) where: Base-Base interactions energy: -1304.317 where: short stacking energy: -522.317 Base-Backbone interact. energy: -1.658 local terms energy: -637.312887 where: bonds (distance) C4'-P energy: -117.809 bonds (distance) P-C4' energy: -120.217 flat angles C4'-P-C4' energy: -136.333 flat angles P-C4'-P energy: -98.403 tors. eta vs tors. theta energy: -164.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1832.734112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.734112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.734112 (E_RNA) where: Base-Base interactions energy: -1265.200 where: short stacking energy: -522.177 Base-Backbone interact. energy: -0.404 local terms energy: -567.130060 where: bonds (distance) C4'-P energy: -101.425 bonds (distance) P-C4' energy: -117.079 flat angles C4'-P-C4' energy: -120.885 flat angles P-C4'-P energy: -77.355 tors. eta vs tors. theta energy: -150.386 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: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1679.478861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.478861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.478861 (E_RNA) where: Base-Base interactions energy: -1127.156 where: short stacking energy: -471.942 Base-Backbone interact. energy: -0.952 local terms energy: -551.370256 where: bonds (distance) C4'-P energy: -105.934 bonds (distance) P-C4' energy: -120.555 flat angles C4'-P-C4' energy: -127.653 flat angles P-C4'-P energy: -66.895 tors. eta vs tors. theta energy: -130.333 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: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1430.713616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.713616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.713616 (E_RNA) where: Base-Base interactions energy: -900.013 where: short stacking energy: -390.065 Base-Backbone interact. energy: -2.852 local terms energy: -527.848772 where: bonds (distance) C4'-P energy: -105.403 bonds (distance) P-C4' energy: -116.464 flat angles C4'-P-C4' energy: -116.111 flat angles P-C4'-P energy: -73.325 tors. eta vs tors. theta energy: -116.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1467.333097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.333097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.333097 (E_RNA) where: Base-Base interactions energy: -978.505 where: short stacking energy: -433.841 Base-Backbone interact. energy: -4.095 local terms energy: -484.733471 where: bonds (distance) C4'-P energy: -95.345 bonds (distance) P-C4' energy: -109.372 flat angles C4'-P-C4' energy: -95.379 flat angles P-C4'-P energy: -66.833 tors. eta vs tors. theta energy: -117.805 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: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -999.362155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.362155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.362155 (E_RNA) where: Base-Base interactions energy: -587.217 where: short stacking energy: -292.135 Base-Backbone interact. energy: -2.711 local terms energy: -409.434929 where: bonds (distance) C4'-P energy: -104.238 bonds (distance) P-C4' energy: -122.214 flat angles C4'-P-C4' energy: -87.783 flat angles P-C4'-P energy: -64.792 tors. eta vs tors. theta energy: -30.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -665.509566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.509566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.509566 (E_RNA) where: Base-Base interactions energy: -328.264 where: short stacking energy: -175.662 Base-Backbone interact. energy: -1.385 local terms energy: -335.859739 where: bonds (distance) C4'-P energy: -91.100 bonds (distance) P-C4' energy: -105.559 flat angles C4'-P-C4' energy: -99.062 flat angles P-C4'-P energy: -38.750 tors. eta vs tors. theta energy: -1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -481.589771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.589771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.589771 (E_RNA) where: Base-Base interactions energy: -165.158 where: short stacking energy: -138.534 Base-Backbone interact. energy: 2.672 local terms energy: -319.103572 where: bonds (distance) C4'-P energy: -97.251 bonds (distance) P-C4' energy: -106.940 flat angles C4'-P-C4' energy: -74.481 flat angles P-C4'-P energy: -55.665 tors. eta vs tors. theta energy: 15.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2100.591020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.591020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.591020 (E_RNA) where: Base-Base interactions energy: -1453.394 where: short stacking energy: -593.959 Base-Backbone interact. energy: -1.693 local terms energy: -645.504183 where: bonds (distance) C4'-P energy: -125.786 bonds (distance) P-C4' energy: -109.616 flat angles C4'-P-C4' energy: -145.138 flat angles P-C4'-P energy: -85.970 tors. eta vs tors. theta energy: -178.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2051.423580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.423580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.423580 (E_RNA) where: Base-Base interactions energy: -1397.911 where: short stacking energy: -572.698 Base-Backbone interact. energy: 2.179 local terms energy: -655.691880 where: bonds (distance) C4'-P energy: -122.855 bonds (distance) P-C4' energy: -130.354 flat angles C4'-P-C4' energy: -139.139 flat angles P-C4'-P energy: -87.273 tors. eta vs tors. theta energy: -176.070 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: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1936.890663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.890663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.890663 (E_RNA) where: Base-Base interactions energy: -1319.815 where: short stacking energy: -525.151 Base-Backbone interact. energy: -1.361 local terms energy: -615.714866 where: bonds (distance) C4'-P energy: -107.429 bonds (distance) P-C4' energy: -129.233 flat angles C4'-P-C4' energy: -125.476 flat angles P-C4'-P energy: -88.012 tors. eta vs tors. theta energy: -165.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1878.479792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.479792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.479792 (E_RNA) where: Base-Base interactions energy: -1297.348 where: short stacking energy: -528.580 Base-Backbone interact. energy: -1.050 local terms energy: -580.081341 where: bonds (distance) C4'-P energy: -90.739 bonds (distance) P-C4' energy: -115.436 flat angles C4'-P-C4' energy: -130.026 flat angles P-C4'-P energy: -88.600 tors. eta vs tors. theta energy: -155.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1704.783394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.783394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.783394 (E_RNA) where: Base-Base interactions energy: -1119.954 where: short stacking energy: -472.561 Base-Backbone interact. energy: -0.662 local terms energy: -584.167245 where: bonds (distance) C4'-P energy: -110.010 bonds (distance) P-C4' energy: -114.348 flat angles C4'-P-C4' energy: -124.790 flat angles P-C4'-P energy: -92.074 tors. eta vs tors. theta energy: -142.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1522.095913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.095913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.095913 (E_RNA) where: Base-Base interactions energy: -995.363 where: short stacking energy: -446.875 Base-Backbone interact. energy: 0.089 local terms energy: -526.822025 where: bonds (distance) C4'-P energy: -110.602 bonds (distance) P-C4' energy: -89.562 flat angles C4'-P-C4' energy: -126.136 flat angles P-C4'-P energy: -86.043 tors. eta vs tors. theta energy: -114.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1418.928699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.928699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.928699 (E_RNA) where: Base-Base interactions energy: -931.506 where: short stacking energy: -430.861 Base-Backbone interact. energy: -1.244 local terms energy: -486.178711 where: bonds (distance) C4'-P energy: -90.250 bonds (distance) P-C4' energy: -108.188 flat angles C4'-P-C4' energy: -104.527 flat angles P-C4'-P energy: -66.579 tors. eta vs tors. theta energy: -116.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -926.412496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.412496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.412496 (E_RNA) where: Base-Base interactions energy: -519.260 where: short stacking energy: -268.326 Base-Backbone interact. energy: 0.476 local terms energy: -407.627901 where: bonds (distance) C4'-P energy: -97.863 bonds (distance) P-C4' energy: -118.349 flat angles C4'-P-C4' energy: -95.897 flat angles P-C4'-P energy: -76.755 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: 9, replica: 8 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -714.311205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.311205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.311205 (E_RNA) where: Base-Base interactions energy: -357.958 where: short stacking energy: -204.075 Base-Backbone interact. energy: -1.357 local terms energy: -354.996743 where: bonds (distance) C4'-P energy: -97.833 bonds (distance) P-C4' energy: -122.405 flat angles C4'-P-C4' energy: -74.769 flat angles P-C4'-P energy: -68.296 tors. eta vs tors. theta energy: 8.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -498.218801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.218801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.218801 (E_RNA) where: Base-Base interactions energy: -174.221 where: short stacking energy: -159.100 Base-Backbone interact. energy: 0.409 local terms energy: -324.407064 where: bonds (distance) C4'-P energy: -75.127 bonds (distance) P-C4' energy: -104.309 flat angles C4'-P-C4' energy: -92.923 flat angles P-C4'-P energy: -59.686 tors. eta vs tors. theta energy: 7.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2098.905075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.905075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.905075 (E_RNA) where: Base-Base interactions energy: -1450.891 where: short stacking energy: -596.144 Base-Backbone interact. energy: -2.971 local terms energy: -645.043096 where: bonds (distance) C4'-P energy: -122.804 bonds (distance) P-C4' energy: -124.992 flat angles C4'-P-C4' energy: -128.569 flat angles P-C4'-P energy: -95.383 tors. eta vs tors. theta energy: -173.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2063.325287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.325287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.325287 (E_RNA) where: Base-Base interactions energy: -1424.882 where: short stacking energy: -599.054 Base-Backbone interact. energy: 1.237 local terms energy: -639.680473 where: bonds (distance) C4'-P energy: -102.560 bonds (distance) P-C4' energy: -120.154 flat angles C4'-P-C4' energy: -140.666 flat angles P-C4'-P energy: -86.697 tors. eta vs tors. theta energy: -189.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1946.543178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.543178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.543178 (E_RNA) where: Base-Base interactions energy: -1310.834 where: short stacking energy: -534.350 Base-Backbone interact. energy: -1.871 local terms energy: -633.838163 where: bonds (distance) C4'-P energy: -103.115 bonds (distance) P-C4' energy: -129.820 flat angles C4'-P-C4' energy: -133.977 flat angles P-C4'-P energy: -96.733 tors. eta vs tors. theta energy: -170.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1849.364201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.364201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.364201 (E_RNA) where: Base-Base interactions energy: -1271.368 where: short stacking energy: -509.752 Base-Backbone interact. energy: -1.880 local terms energy: -576.115889 where: bonds (distance) C4'-P energy: -112.901 bonds (distance) P-C4' energy: -116.242 flat angles C4'-P-C4' energy: -116.641 flat angles P-C4'-P energy: -81.093 tors. eta vs tors. theta energy: -149.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1680.093117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.093117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.093117 (E_RNA) where: Base-Base interactions energy: -1109.967 where: short stacking energy: -457.886 Base-Backbone interact. energy: -3.859 local terms energy: -566.267146 where: bonds (distance) C4'-P energy: -104.941 bonds (distance) P-C4' energy: -122.934 flat angles C4'-P-C4' energy: -115.014 flat angles P-C4'-P energy: -82.434 tors. eta vs tors. theta energy: -140.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1478.004968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.004968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.004968 (E_RNA) where: Base-Base interactions energy: -941.273 where: short stacking energy: -430.321 Base-Backbone interact. energy: -0.878 local terms energy: -535.853899 where: bonds (distance) C4'-P energy: -103.615 bonds (distance) P-C4' energy: -112.295 flat angles C4'-P-C4' energy: -123.017 flat angles P-C4'-P energy: -75.138 tors. eta vs tors. theta energy: -121.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1362.729135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.729135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.729135 (E_RNA) where: Base-Base interactions energy: -871.299 where: short stacking energy: -393.448 Base-Backbone interact. energy: -2.009 local terms energy: -489.420546 where: bonds (distance) C4'-P energy: -102.830 bonds (distance) P-C4' energy: -95.738 flat angles C4'-P-C4' energy: -116.968 flat angles P-C4'-P energy: -76.714 tors. eta vs tors. theta energy: -97.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -909.517437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.517437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.517437 (E_RNA) where: Base-Base interactions energy: -532.290 where: short stacking energy: -262.502 Base-Backbone interact. energy: -6.713 local terms energy: -370.514148 where: bonds (distance) C4'-P energy: -85.121 bonds (distance) P-C4' energy: -99.755 flat angles C4'-P-C4' energy: -101.789 flat angles P-C4'-P energy: -60.362 tors. eta vs tors. theta energy: -23.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -711.086943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.086943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.086943 (E_RNA) where: Base-Base interactions energy: -335.116 where: short stacking energy: -168.542 Base-Backbone interact. energy: 5.751 local terms energy: -381.722383 where: bonds (distance) C4'-P energy: -101.807 bonds (distance) P-C4' energy: -119.554 flat angles C4'-P-C4' energy: -101.692 flat angles P-C4'-P energy: -59.068 tors. eta vs tors. theta energy: 0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -458.854805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.854805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.854805 (E_RNA) where: Base-Base interactions energy: -134.282 where: short stacking energy: -93.233 Base-Backbone interact. energy: -0.961 local terms energy: -323.611813 where: bonds (distance) C4'-P energy: -95.515 bonds (distance) P-C4' energy: -103.794 flat angles C4'-P-C4' energy: -87.930 flat angles P-C4'-P energy: -48.437 tors. eta vs tors. theta energy: 12.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2088.085533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.085533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.085533 (E_RNA) where: Base-Base interactions energy: -1458.292 where: short stacking energy: -591.708 Base-Backbone interact. energy: 0.088 local terms energy: -629.881506 where: bonds (distance) C4'-P energy: -107.568 bonds (distance) P-C4' energy: -128.224 flat angles C4'-P-C4' energy: -128.022 flat angles P-C4'-P energy: -85.796 tors. eta vs tors. theta energy: -180.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2013.734231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.734231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.734231 (E_RNA) where: Base-Base interactions energy: -1357.963 where: short stacking energy: -548.026 Base-Backbone interact. energy: -3.366 local terms energy: -652.405527 where: bonds (distance) C4'-P energy: -113.825 bonds (distance) P-C4' energy: -133.519 flat angles C4'-P-C4' energy: -134.321 flat angles P-C4'-P energy: -89.150 tors. eta vs tors. theta energy: -181.591 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: 207 Temperature: 1.000000 Total energy: -1922.186408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.186408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.186408 (E_RNA) where: Base-Base interactions energy: -1329.348 where: short stacking energy: -564.247 Base-Backbone interact. energy: -0.710 local terms energy: -592.129023 where: bonds (distance) C4'-P energy: -102.660 bonds (distance) P-C4' energy: -112.095 flat angles C4'-P-C4' energy: -122.946 flat angles P-C4'-P energy: -82.539 tors. eta vs tors. theta energy: -171.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1883.954541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.954541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.954541 (E_RNA) where: Base-Base interactions energy: -1283.491 where: short stacking energy: -550.653 Base-Backbone interact. energy: -2.251 local terms energy: -598.212739 where: bonds (distance) C4'-P energy: -116.833 bonds (distance) P-C4' energy: -102.463 flat angles C4'-P-C4' energy: -127.605 flat angles P-C4'-P energy: -87.748 tors. eta vs tors. theta energy: -163.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1695.209556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.209556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.209556 (E_RNA) where: Base-Base interactions energy: -1128.416 where: short stacking energy: -477.310 Base-Backbone interact. energy: -2.540 local terms energy: -564.253517 where: bonds (distance) C4'-P energy: -129.024 bonds (distance) P-C4' energy: -100.673 flat angles C4'-P-C4' energy: -117.149 flat angles P-C4'-P energy: -88.094 tors. eta vs tors. theta energy: -129.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1566.358016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.358016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.358016 (E_RNA) where: Base-Base interactions energy: -1012.048 where: short stacking energy: -474.037 Base-Backbone interact. energy: -0.947 local terms energy: -553.362792 where: bonds (distance) C4'-P energy: -107.741 bonds (distance) P-C4' energy: -111.861 flat angles C4'-P-C4' energy: -111.647 flat angles P-C4'-P energy: -79.077 tors. eta vs tors. theta energy: -143.036 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: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1383.685561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.685561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.685561 (E_RNA) where: Base-Base interactions energy: -882.956 where: short stacking energy: -404.732 Base-Backbone interact. energy: 3.060 local terms energy: -503.789202 where: bonds (distance) C4'-P energy: -115.917 bonds (distance) P-C4' energy: -120.485 flat angles C4'-P-C4' energy: -109.795 flat angles P-C4'-P energy: -57.964 tors. eta vs tors. theta energy: -99.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -939.106176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.106176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.106176 (E_RNA) where: Base-Base interactions energy: -530.762 where: short stacking energy: -248.794 Base-Backbone interact. energy: -3.478 local terms energy: -404.866690 where: bonds (distance) C4'-P energy: -102.531 bonds (distance) P-C4' energy: -99.635 flat angles C4'-P-C4' energy: -104.767 flat angles P-C4'-P energy: -64.310 tors. eta vs tors. theta energy: -33.625 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: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -713.007663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.007663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.007663 (E_RNA) where: Base-Base interactions energy: -387.628 where: short stacking energy: -197.872 Base-Backbone interact. energy: 2.796 local terms energy: -328.175614 where: bonds (distance) C4'-P energy: -101.641 bonds (distance) P-C4' energy: -102.621 flat angles C4'-P-C4' energy: -78.574 flat angles P-C4'-P energy: -51.647 tors. eta vs tors. theta energy: 6.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -471.060111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.060111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.060111 (E_RNA) where: Base-Base interactions energy: -173.314 where: short stacking energy: -96.573 Base-Backbone interact. energy: 3.848 local terms energy: -301.594032 where: bonds (distance) C4'-P energy: -89.014 bonds (distance) P-C4' energy: -97.263 flat angles C4'-P-C4' energy: -112.671 flat angles P-C4'-P energy: -33.458 tors. eta vs tors. theta energy: 30.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2104.385572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.385572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.385572 (E_RNA) where: Base-Base interactions energy: -1467.880 where: short stacking energy: -593.555 Base-Backbone interact. energy: -0.633 local terms energy: -635.872930 where: bonds (distance) C4'-P energy: -130.325 bonds (distance) P-C4' energy: -115.434 flat angles C4'-P-C4' energy: -121.087 flat angles P-C4'-P energy: -93.594 tors. eta vs tors. theta energy: -175.433 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: 7 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2022.678870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.678870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.678870 (E_RNA) where: Base-Base interactions energy: -1394.592 where: short stacking energy: -576.096 Base-Backbone interact. energy: -2.005 local terms energy: -626.081120 where: bonds (distance) C4'-P energy: -119.512 bonds (distance) P-C4' energy: -117.538 flat angles C4'-P-C4' energy: -128.107 flat angles P-C4'-P energy: -82.945 tors. eta vs tors. theta energy: -177.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1964.578874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.578874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.578874 (E_RNA) where: Base-Base interactions energy: -1334.497 where: short stacking energy: -553.509 Base-Backbone interact. energy: 1.677 local terms energy: -631.758354 where: bonds (distance) C4'-P energy: -123.287 bonds (distance) P-C4' energy: -118.570 flat angles C4'-P-C4' energy: -137.137 flat angles P-C4'-P energy: -79.485 tors. eta vs tors. theta energy: -173.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1883.569008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.569008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.569008 (E_RNA) where: Base-Base interactions energy: -1302.876 where: short stacking energy: -536.846 Base-Backbone interact. energy: -4.807 local terms energy: -575.886219 where: bonds (distance) C4'-P energy: -112.235 bonds (distance) P-C4' energy: -107.454 flat angles C4'-P-C4' energy: -128.700 flat angles P-C4'-P energy: -69.144 tors. eta vs tors. theta energy: -158.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1660.700035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.700035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.700035 (E_RNA) where: Base-Base interactions energy: -1114.393 where: short stacking energy: -462.825 Base-Backbone interact. energy: 0.718 local terms energy: -547.025410 where: bonds (distance) C4'-P energy: -104.967 bonds (distance) P-C4' energy: -104.939 flat angles C4'-P-C4' energy: -118.694 flat angles P-C4'-P energy: -83.702 tors. eta vs tors. theta energy: -134.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1554.412396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.412396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.412396 (E_RNA) where: Base-Base interactions energy: -1034.937 where: short stacking energy: -462.521 Base-Backbone interact. energy: -2.267 local terms energy: -517.208134 where: bonds (distance) C4'-P energy: -92.008 bonds (distance) P-C4' energy: -97.333 flat angles C4'-P-C4' energy: -111.710 flat angles P-C4'-P energy: -73.860 tors. eta vs tors. theta energy: -142.296 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: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1333.779885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.779885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.779885 (E_RNA) where: Base-Base interactions energy: -866.005 where: short stacking energy: -397.789 Base-Backbone interact. energy: -0.289 local terms energy: -467.485336 where: bonds (distance) C4'-P energy: -107.852 bonds (distance) P-C4' energy: -90.081 flat angles C4'-P-C4' energy: -108.776 flat angles P-C4'-P energy: -56.746 tors. eta vs tors. theta energy: -104.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -948.170946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.170946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.170946 (E_RNA) where: Base-Base interactions energy: -536.535 where: short stacking energy: -276.617 Base-Backbone interact. energy: -2.916 local terms energy: -408.719636 where: bonds (distance) C4'-P energy: -85.230 bonds (distance) P-C4' energy: -113.303 flat angles C4'-P-C4' energy: -90.033 flat angles P-C4'-P energy: -83.550 tors. eta vs tors. theta energy: -36.604 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: 8 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -698.539370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.539370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.539370 (E_RNA) where: Base-Base interactions energy: -358.444 where: short stacking energy: -212.740 Base-Backbone interact. energy: -1.010 local terms energy: -339.085032 where: bonds (distance) C4'-P energy: -110.930 bonds (distance) P-C4' energy: -89.147 flat angles C4'-P-C4' energy: -89.038 flat angles P-C4'-P energy: -49.175 tors. eta vs tors. theta energy: -0.794 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: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -458.638869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.638869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.638869 (E_RNA) where: Base-Base interactions energy: -153.910 where: short stacking energy: -134.911 Base-Backbone interact. energy: 1.939 local terms energy: -306.667890 where: bonds (distance) C4'-P energy: -97.933 bonds (distance) P-C4' energy: -97.308 flat angles C4'-P-C4' energy: -84.471 flat angles P-C4'-P energy: -52.037 tors. eta vs tors. theta energy: 25.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2112.644179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.644179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.644179 (E_RNA) where: Base-Base interactions energy: -1450.115 where: short stacking energy: -594.705 Base-Backbone interact. energy: -1.721 local terms energy: -660.808441 where: bonds (distance) C4'-P energy: -115.061 bonds (distance) P-C4' energy: -131.490 flat angles C4'-P-C4' energy: -141.844 flat angles P-C4'-P energy: -99.077 tors. eta vs tors. theta energy: -173.336 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: 2, replica: 7 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2037.003849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.003849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.003849 (E_RNA) where: Base-Base interactions energy: -1407.100 where: short stacking energy: -578.774 Base-Backbone interact. energy: -3.648 local terms energy: -626.255557 where: bonds (distance) C4'-P energy: -114.886 bonds (distance) P-C4' energy: -127.078 flat angles C4'-P-C4' energy: -125.584 flat angles P-C4'-P energy: -88.274 tors. eta vs tors. theta energy: -170.434 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: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1929.197361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.197361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.197361 (E_RNA) where: Base-Base interactions energy: -1318.052 where: short stacking energy: -550.725 Base-Backbone interact. energy: -2.467 local terms energy: -608.678632 where: bonds (distance) C4'-P energy: -113.928 bonds (distance) P-C4' energy: -124.176 flat angles C4'-P-C4' energy: -130.179 flat angles P-C4'-P energy: -84.789 tors. eta vs tors. theta energy: -155.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1911.592274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.592274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.592274 (E_RNA) where: Base-Base interactions energy: -1320.655 where: short stacking energy: -554.404 Base-Backbone interact. energy: -3.258 local terms energy: -587.679188 where: bonds (distance) C4'-P energy: -109.238 bonds (distance) P-C4' energy: -125.883 flat angles C4'-P-C4' energy: -124.021 flat angles P-C4'-P energy: -68.422 tors. eta vs tors. theta energy: -160.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1631.956485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.956485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.956485 (E_RNA) where: Base-Base interactions energy: -1095.707 where: short stacking energy: -459.986 Base-Backbone interact. energy: -0.178 local terms energy: -536.071148 where: bonds (distance) C4'-P energy: -94.393 bonds (distance) P-C4' energy: -110.968 flat angles C4'-P-C4' energy: -114.574 flat angles P-C4'-P energy: -86.627 tors. eta vs tors. theta energy: -129.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1537.760393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.760393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.760393 (E_RNA) where: Base-Base interactions energy: -1015.918 where: short stacking energy: -448.445 Base-Backbone interact. energy: -1.240 local terms energy: -520.602721 where: bonds (distance) C4'-P energy: -94.323 bonds (distance) P-C4' energy: -108.314 flat angles C4'-P-C4' energy: -109.782 flat angles P-C4'-P energy: -88.236 tors. eta vs tors. theta energy: -119.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1320.566517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.566517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.566517 (E_RNA) where: Base-Base interactions energy: -844.476 where: short stacking energy: -377.249 Base-Backbone interact. energy: -2.149 local terms energy: -473.941614 where: bonds (distance) C4'-P energy: -97.390 bonds (distance) P-C4' energy: -102.845 flat angles C4'-P-C4' energy: -120.134 flat angles P-C4'-P energy: -54.070 tors. eta vs tors. theta energy: -99.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -981.242646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.242646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.242646 (E_RNA) where: Base-Base interactions energy: -579.684 where: short stacking energy: -270.854 Base-Backbone interact. energy: -3.088 local terms energy: -398.470579 where: bonds (distance) C4'-P energy: -83.353 bonds (distance) P-C4' energy: -99.142 flat angles C4'-P-C4' energy: -102.991 flat angles P-C4'-P energy: -69.596 tors. eta vs tors. theta energy: -43.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -667.184397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.184397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.184397 (E_RNA) where: Base-Base interactions energy: -317.395 where: short stacking energy: -171.823 Base-Backbone interact. energy: -0.290 local terms energy: -349.499481 where: bonds (distance) C4'-P energy: -95.954 bonds (distance) P-C4' energy: -114.371 flat angles C4'-P-C4' energy: -87.040 flat angles P-C4'-P energy: -51.473 tors. eta vs tors. theta energy: -0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -466.015920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.015920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.015920 (E_RNA) where: Base-Base interactions energy: -173.157 where: short stacking energy: -125.775 Base-Backbone interact. energy: 2.937 local terms energy: -295.796347 where: bonds (distance) C4'-P energy: -93.805 bonds (distance) P-C4' energy: -97.235 flat angles C4'-P-C4' energy: -76.834 flat angles P-C4'-P energy: -52.687 tors. eta vs tors. theta energy: 24.765 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: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2088.469734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.469734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.469734 (E_RNA) where: Base-Base interactions energy: -1447.520 where: short stacking energy: -587.743 Base-Backbone interact. energy: 2.367 local terms energy: -643.316581 where: bonds (distance) C4'-P energy: -114.918 bonds (distance) P-C4' energy: -136.205 flat angles C4'-P-C4' energy: -129.061 flat angles P-C4'-P energy: -91.193 tors. eta vs tors. theta energy: -171.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2062.345935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.345935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.345935 (E_RNA) where: Base-Base interactions energy: -1438.555 where: short stacking energy: -586.404 Base-Backbone interact. energy: -4.541 local terms energy: -619.249443 where: bonds (distance) C4'-P energy: -110.341 bonds (distance) P-C4' energy: -114.706 flat angles C4'-P-C4' energy: -134.767 flat angles P-C4'-P energy: -84.226 tors. eta vs tors. theta energy: -175.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1942.847021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.847021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.847021 (E_RNA) where: Base-Base interactions energy: -1312.554 where: short stacking energy: -528.346 Base-Backbone interact. energy: 0.200 local terms energy: -630.492930 where: bonds (distance) C4'-P energy: -114.813 bonds (distance) P-C4' energy: -128.387 flat angles C4'-P-C4' energy: -134.113 flat angles P-C4'-P energy: -88.823 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: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1936.704671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.704671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.704671 (E_RNA) where: Base-Base interactions energy: -1345.399 where: short stacking energy: -549.937 Base-Backbone interact. energy: -1.362 local terms energy: -589.943316 where: bonds (distance) C4'-P energy: -113.124 bonds (distance) P-C4' energy: -104.398 flat angles C4'-P-C4' energy: -138.416 flat angles P-C4'-P energy: -71.846 tors. eta vs tors. theta energy: -162.159 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: 10 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1581.121711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.121711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.121711 (E_RNA) where: Base-Base interactions energy: -1049.137 where: short stacking energy: -457.027 Base-Backbone interact. energy: -2.717 local terms energy: -529.267353 where: bonds (distance) C4'-P energy: -115.398 bonds (distance) P-C4' energy: -115.729 flat angles C4'-P-C4' energy: -114.253 flat angles P-C4'-P energy: -65.368 tors. eta vs tors. theta energy: -118.520 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: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1540.756289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.756289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.756289 (E_RNA) where: Base-Base interactions energy: -1002.586 where: short stacking energy: -458.569 Base-Backbone interact. energy: 1.046 local terms energy: -539.216117 where: bonds (distance) C4'-P energy: -99.359 bonds (distance) P-C4' energy: -110.102 flat angles C4'-P-C4' energy: -122.735 flat angles P-C4'-P energy: -72.188 tors. eta vs tors. theta energy: -134.833 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: 210 Temperature: 1.200000 Total energy: -1340.934754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.934754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.934754 (E_RNA) where: Base-Base interactions energy: -842.576 where: short stacking energy: -399.096 Base-Backbone interact. energy: -1.705 local terms energy: -496.653671 where: bonds (distance) C4'-P energy: -99.307 bonds (distance) P-C4' energy: -115.833 flat angles C4'-P-C4' energy: -122.244 flat angles P-C4'-P energy: -68.498 tors. eta vs tors. theta energy: -90.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1042.359957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.359957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.359957 (E_RNA) where: Base-Base interactions energy: -650.195 where: short stacking energy: -338.847 Base-Backbone interact. energy: -3.158 local terms energy: -389.007405 where: bonds (distance) C4'-P energy: -82.680 bonds (distance) P-C4' energy: -82.793 flat angles C4'-P-C4' energy: -93.487 flat angles P-C4'-P energy: -67.385 tors. eta vs tors. theta energy: -62.662 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: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -643.622403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.622403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.622403 (E_RNA) where: Base-Base interactions energy: -318.822 where: short stacking energy: -176.283 Base-Backbone interact. energy: -1.598 local terms energy: -323.202698 where: bonds (distance) C4'-P energy: -84.293 bonds (distance) P-C4' energy: -89.814 flat angles C4'-P-C4' energy: -107.604 flat angles P-C4'-P energy: -41.499 tors. eta vs tors. theta energy: 0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -449.296441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.296441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.296441 (E_RNA) where: Base-Base interactions energy: -139.171 where: short stacking energy: -118.862 Base-Backbone interact. energy: 2.749 local terms energy: -312.874266 where: bonds (distance) C4'-P energy: -107.142 bonds (distance) P-C4' energy: -102.041 flat angles C4'-P-C4' energy: -87.497 flat angles P-C4'-P energy: -44.240 tors. eta vs tors. theta energy: 28.046 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: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2120.715197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.715197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.715197 (E_RNA) where: Base-Base interactions energy: -1472.194 where: short stacking energy: -611.526 Base-Backbone interact. energy: -3.365 local terms energy: -645.155918 where: bonds (distance) C4'-P energy: -115.917 bonds (distance) P-C4' energy: -130.695 flat angles C4'-P-C4' energy: -134.220 flat angles P-C4'-P energy: -85.239 tors. eta vs tors. theta energy: -179.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2032.954358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.954358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.954358 (E_RNA) where: Base-Base interactions energy: -1387.481 where: short stacking energy: -588.010 Base-Backbone interact. energy: -0.533 local terms energy: -644.940338 where: bonds (distance) C4'-P energy: -99.554 bonds (distance) P-C4' energy: -120.844 flat angles C4'-P-C4' energy: -145.653 flat angles P-C4'-P energy: -97.868 tors. eta vs tors. theta energy: -181.020 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: 3 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1908.644146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.644146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.644146 (E_RNA) where: Base-Base interactions energy: -1265.229 where: short stacking energy: -548.339 Base-Backbone interact. energy: -1.527 local terms energy: -641.888600 where: bonds (distance) C4'-P energy: -121.043 bonds (distance) P-C4' energy: -120.705 flat angles C4'-P-C4' energy: -137.375 flat angles P-C4'-P energy: -88.665 tors. eta vs tors. theta energy: -174.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1896.075995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.075995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.075995 (E_RNA) where: Base-Base interactions energy: -1300.493 where: short stacking energy: -542.905 Base-Backbone interact. energy: 1.037 local terms energy: -596.619306 where: bonds (distance) C4'-P energy: -102.662 bonds (distance) P-C4' energy: -106.800 flat angles C4'-P-C4' energy: -134.700 flat angles P-C4'-P energy: -88.640 tors. eta vs tors. theta energy: -163.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1578.833819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.833819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.833819 (E_RNA) where: Base-Base interactions energy: -1060.001 where: short stacking energy: -441.347 Base-Backbone interact. energy: -5.134 local terms energy: -513.699173 where: bonds (distance) C4'-P energy: -95.337 bonds (distance) P-C4' energy: -104.781 flat angles C4'-P-C4' energy: -115.282 flat angles P-C4'-P energy: -78.570 tors. eta vs tors. theta energy: -119.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1508.961872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.961872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.961872 (E_RNA) where: Base-Base interactions energy: -976.324 where: short stacking energy: -427.796 Base-Backbone interact. energy: -0.753 local terms energy: -531.885059 where: bonds (distance) C4'-P energy: -106.997 bonds (distance) P-C4' energy: -117.164 flat angles C4'-P-C4' energy: -114.041 flat angles P-C4'-P energy: -66.735 tors. eta vs tors. theta energy: -126.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1283.424557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.424557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.424557 (E_RNA) where: Base-Base interactions energy: -811.339 where: short stacking energy: -368.429 Base-Backbone interact. energy: -2.011 local terms energy: -470.075307 where: bonds (distance) C4'-P energy: -98.388 bonds (distance) P-C4' energy: -118.183 flat angles C4'-P-C4' energy: -111.316 flat angles P-C4'-P energy: -63.540 tors. eta vs tors. theta energy: -78.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1032.940137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.940137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.940137 (E_RNA) where: Base-Base interactions energy: -618.355 where: short stacking energy: -293.293 Base-Backbone interact. energy: -2.804 local terms energy: -411.780630 where: bonds (distance) C4'-P energy: -109.168 bonds (distance) P-C4' energy: -108.936 flat angles C4'-P-C4' energy: -103.769 flat angles P-C4'-P energy: -45.290 tors. eta vs tors. theta energy: -44.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -656.608849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.608849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.608849 (E_RNA) where: Base-Base interactions energy: -302.355 where: short stacking energy: -161.644 Base-Backbone interact. energy: 1.084 local terms energy: -355.337695 where: bonds (distance) C4'-P energy: -103.474 bonds (distance) P-C4' energy: -110.877 flat angles C4'-P-C4' energy: -101.558 flat angles P-C4'-P energy: -55.250 tors. eta vs tors. theta energy: 15.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -493.148572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.148572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.148572 (E_RNA) where: Base-Base interactions energy: -196.855 where: short stacking energy: -127.964 Base-Backbone interact. energy: 9.249 local terms energy: -305.542821 where: bonds (distance) C4'-P energy: -102.669 bonds (distance) P-C4' energy: -107.355 flat angles C4'-P-C4' energy: -62.156 flat angles P-C4'-P energy: -54.235 tors. eta vs tors. theta energy: 20.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2084.022467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.022467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.022467 (E_RNA) where: Base-Base interactions energy: -1444.223 where: short stacking energy: -590.262 Base-Backbone interact. energy: 0.228 local terms energy: -640.027779 where: bonds (distance) C4'-P energy: -118.445 bonds (distance) P-C4' energy: -119.675 flat angles C4'-P-C4' energy: -139.100 flat angles P-C4'-P energy: -91.063 tors. eta vs tors. theta energy: -171.744 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: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2011.899490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.899490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.899490 (E_RNA) where: Base-Base interactions energy: -1378.303 where: short stacking energy: -576.836 Base-Backbone interact. energy: -2.473 local terms energy: -631.124126 where: bonds (distance) C4'-P energy: -124.304 bonds (distance) P-C4' energy: -100.628 flat angles C4'-P-C4' energy: -137.187 flat angles P-C4'-P energy: -91.254 tors. eta vs tors. theta energy: -177.751 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: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1943.609880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.609880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.609880 (E_RNA) where: Base-Base interactions energy: -1318.136 where: short stacking energy: -552.860 Base-Backbone interact. energy: -1.111 local terms energy: -624.363470 where: bonds (distance) C4'-P energy: -121.217 bonds (distance) P-C4' energy: -115.609 flat angles C4'-P-C4' energy: -132.862 flat angles P-C4'-P energy: -90.036 tors. eta vs tors. theta energy: -164.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1893.570992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.570992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.570992 (E_RNA) where: Base-Base interactions energy: -1285.797 where: short stacking energy: -548.226 Base-Backbone interact. energy: -4.640 local terms energy: -603.133642 where: bonds (distance) C4'-P energy: -102.868 bonds (distance) P-C4' energy: -112.922 flat angles C4'-P-C4' energy: -133.427 flat angles P-C4'-P energy: -80.046 tors. eta vs tors. theta energy: -173.871 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: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1583.898568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.898568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.898568 (E_RNA) where: Base-Base interactions energy: -1047.824 where: short stacking energy: -455.583 Base-Backbone interact. energy: -5.116 local terms energy: -530.959215 where: bonds (distance) C4'-P energy: -103.084 bonds (distance) P-C4' energy: -117.634 flat angles C4'-P-C4' energy: -127.263 flat angles P-C4'-P energy: -73.678 tors. eta vs tors. theta energy: -109.299 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: 10 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1487.787797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.787797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.787797 (E_RNA) where: Base-Base interactions energy: -1001.460 where: short stacking energy: -426.816 Base-Backbone interact. energy: 2.273 local terms energy: -488.600899 where: bonds (distance) C4'-P energy: -92.077 bonds (distance) P-C4' energy: -99.611 flat angles C4'-P-C4' energy: -127.652 flat angles P-C4'-P energy: -61.954 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: 7, replica: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1269.691105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.691105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.691105 (E_RNA) where: Base-Base interactions energy: -800.908 where: short stacking energy: -361.074 Base-Backbone interact. energy: 1.178 local terms energy: -469.961251 where: bonds (distance) C4'-P energy: -93.248 bonds (distance) P-C4' energy: -95.932 flat angles C4'-P-C4' energy: -103.577 flat angles P-C4'-P energy: -83.842 tors. eta vs tors. theta energy: -93.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -950.538793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.538793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.538793 (E_RNA) where: Base-Base interactions energy: -562.687 where: short stacking energy: -265.198 Base-Backbone interact. energy: 1.036 local terms energy: -388.887905 where: bonds (distance) C4'-P energy: -106.394 bonds (distance) P-C4' energy: -89.737 flat angles C4'-P-C4' energy: -80.036 flat angles P-C4'-P energy: -66.156 tors. eta vs tors. theta energy: -46.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -585.060501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.060501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.060501 (E_RNA) where: Base-Base interactions energy: -258.989 where: short stacking energy: -135.512 Base-Backbone interact. energy: 5.234 local terms energy: -331.305749 where: bonds (distance) C4'-P energy: -92.019 bonds (distance) P-C4' energy: -107.519 flat angles C4'-P-C4' energy: -98.446 flat angles P-C4'-P energy: -51.341 tors. eta vs tors. theta energy: 18.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -489.553982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.553982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.553982 (E_RNA) where: Base-Base interactions energy: -187.603 where: short stacking energy: -141.713 Base-Backbone interact. energy: -2.199 local terms energy: -299.752160 where: bonds (distance) C4'-P energy: -79.033 bonds (distance) P-C4' energy: -99.114 flat angles C4'-P-C4' energy: -90.749 flat angles P-C4'-P energy: -49.816 tors. eta vs tors. theta energy: 18.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2094.517499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.517499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.517499 (E_RNA) where: Base-Base interactions energy: -1427.270 where: short stacking energy: -600.556 Base-Backbone interact. energy: 0.065 local terms energy: -667.312290 where: bonds (distance) C4'-P energy: -134.124 bonds (distance) P-C4' energy: -123.094 flat angles C4'-P-C4' energy: -142.008 flat angles P-C4'-P energy: -93.110 tors. eta vs tors. theta energy: -174.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2071.980194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.980194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.980194 (E_RNA) where: Base-Base interactions energy: -1437.691 where: short stacking energy: -567.957 Base-Backbone interact. energy: -2.651 local terms energy: -631.638338 where: bonds (distance) C4'-P energy: -111.576 bonds (distance) P-C4' energy: -123.512 flat angles C4'-P-C4' energy: -119.062 flat angles P-C4'-P energy: -99.511 tors. eta vs tors. theta energy: -177.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1905.872109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.872109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.872109 (E_RNA) where: Base-Base interactions energy: -1302.525 where: short stacking energy: -567.496 Base-Backbone interact. energy: -3.565 local terms energy: -599.782334 where: bonds (distance) C4'-P energy: -111.032 bonds (distance) P-C4' energy: -115.480 flat angles C4'-P-C4' energy: -133.639 flat angles P-C4'-P energy: -85.199 tors. eta vs tors. theta energy: -154.432 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: 213 Temperature: 1.050000 Total energy: -1827.266496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.266496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.266496 (E_RNA) where: Base-Base interactions energy: -1235.492 where: short stacking energy: -519.580 Base-Backbone interact. energy: 0.426 local terms energy: -592.200779 where: bonds (distance) C4'-P energy: -111.512 bonds (distance) P-C4' energy: -114.293 flat angles C4'-P-C4' energy: -119.891 flat angles P-C4'-P energy: -87.538 tors. eta vs tors. theta energy: -158.967 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: 5, replica: 2 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1577.322910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.322910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.322910 (E_RNA) where: Base-Base interactions energy: -1046.954 where: short stacking energy: -475.437 Base-Backbone interact. energy: -2.936 local terms energy: -527.432201 where: bonds (distance) C4'-P energy: -102.577 bonds (distance) P-C4' energy: -118.790 flat angles C4'-P-C4' energy: -108.284 flat angles P-C4'-P energy: -85.874 tors. eta vs tors. theta energy: -111.907 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: 213 Temperature: 1.150000 Total energy: -1489.247830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.247830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.247830 (E_RNA) where: Base-Base interactions energy: -970.496 where: short stacking energy: -442.190 Base-Backbone interact. energy: -0.889 local terms energy: -517.863011 where: bonds (distance) C4'-P energy: -96.112 bonds (distance) P-C4' energy: -107.576 flat angles C4'-P-C4' energy: -118.694 flat angles P-C4'-P energy: -77.079 tors. eta vs tors. theta energy: -118.401 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: 4 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1316.617954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.617954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.617954 (E_RNA) where: Base-Base interactions energy: -846.459 where: short stacking energy: -385.707 Base-Backbone interact. energy: -1.842 local terms energy: -468.317275 where: bonds (distance) C4'-P energy: -99.951 bonds (distance) P-C4' energy: -114.912 flat angles C4'-P-C4' energy: -98.291 flat angles P-C4'-P energy: -60.505 tors. eta vs tors. theta energy: -94.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -944.979960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.979960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.979960 (E_RNA) where: Base-Base interactions energy: -577.686 where: short stacking energy: -251.650 Base-Backbone interact. energy: 3.987 local terms energy: -371.280320 where: bonds (distance) C4'-P energy: -96.592 bonds (distance) P-C4' energy: -98.310 flat angles C4'-P-C4' energy: -89.554 flat angles P-C4'-P energy: -64.152 tors. eta vs tors. theta energy: -22.672 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: 8 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -604.655286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.655286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.655286 (E_RNA) where: Base-Base interactions energy: -265.861 where: short stacking energy: -171.137 Base-Backbone interact. energy: 1.446 local terms energy: -340.239680 where: bonds (distance) C4'-P energy: -91.300 bonds (distance) P-C4' energy: -114.870 flat angles C4'-P-C4' energy: -89.522 flat angles P-C4'-P energy: -46.674 tors. eta vs tors. theta energy: 2.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -472.046378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.046378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.046378 (E_RNA) where: Base-Base interactions energy: -153.919 where: short stacking energy: -122.255 Base-Backbone interact. energy: -0.531 local terms energy: -317.596818 where: bonds (distance) C4'-P energy: -106.736 bonds (distance) P-C4' energy: -99.681 flat angles C4'-P-C4' energy: -85.257 flat angles P-C4'-P energy: -43.076 tors. eta vs tors. theta energy: 17.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2078.840597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.840597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.840597 (E_RNA) where: Base-Base interactions energy: -1416.481 where: short stacking energy: -603.267 Base-Backbone interact. energy: -0.775 local terms energy: -661.584810 where: bonds (distance) C4'-P energy: -120.416 bonds (distance) P-C4' energy: -137.616 flat angles C4'-P-C4' energy: -129.793 flat angles P-C4'-P energy: -98.623 tors. eta vs tors. theta energy: -175.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2037.661715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.661715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.661715 (E_RNA) where: Base-Base interactions energy: -1400.231 where: short stacking energy: -592.853 Base-Backbone interact. energy: -1.761 local terms energy: -635.669698 where: bonds (distance) C4'-P energy: -107.725 bonds (distance) P-C4' energy: -124.327 flat angles C4'-P-C4' energy: -134.619 flat angles P-C4'-P energy: -87.703 tors. eta vs tors. theta energy: -181.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1953.870960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.870960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.870960 (E_RNA) where: Base-Base interactions energy: -1334.638 where: short stacking energy: -571.554 Base-Backbone interact. energy: 1.589 local terms energy: -620.821547 where: bonds (distance) C4'-P energy: -113.026 bonds (distance) P-C4' energy: -120.208 flat angles C4'-P-C4' energy: -131.904 flat angles P-C4'-P energy: -90.411 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: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1815.965698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.965698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.965698 (E_RNA) where: Base-Base interactions energy: -1237.110 where: short stacking energy: -501.018 Base-Backbone interact. energy: -2.387 local terms energy: -576.468063 where: bonds (distance) C4'-P energy: -114.735 bonds (distance) P-C4' energy: -123.612 flat angles C4'-P-C4' energy: -121.333 flat angles P-C4'-P energy: -67.754 tors. eta vs tors. theta energy: -149.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1579.371829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.371829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.371829 (E_RNA) where: Base-Base interactions energy: -1055.308 where: short stacking energy: -446.184 Base-Backbone interact. energy: 6.299 local terms energy: -530.362841 where: bonds (distance) C4'-P energy: -111.470 bonds (distance) P-C4' energy: -94.424 flat angles C4'-P-C4' energy: -122.798 flat angles P-C4'-P energy: -79.750 tors. eta vs tors. theta energy: -121.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1421.515508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.515508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.515508 (E_RNA) where: Base-Base interactions energy: -921.189 where: short stacking energy: -372.938 Base-Backbone interact. energy: 0.850 local terms energy: -501.176221 where: bonds (distance) C4'-P energy: -105.854 bonds (distance) P-C4' energy: -114.556 flat angles C4'-P-C4' energy: -119.130 flat angles P-C4'-P energy: -70.803 tors. eta vs tors. theta energy: -90.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1305.809953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.809953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.809953 (E_RNA) where: Base-Base interactions energy: -838.120 where: short stacking energy: -386.165 Base-Backbone interact. energy: 0.995 local terms energy: -468.685173 where: bonds (distance) C4'-P energy: -81.685 bonds (distance) P-C4' energy: -96.488 flat angles C4'-P-C4' energy: -109.514 flat angles P-C4'-P energy: -83.910 tors. eta vs tors. theta energy: -97.087 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: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -966.758651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.758651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.758651 (E_RNA) where: Base-Base interactions energy: -548.590 where: short stacking energy: -257.583 Base-Backbone interact. energy: 4.162 local terms energy: -422.330351 where: bonds (distance) C4'-P energy: -105.562 bonds (distance) P-C4' energy: -120.949 flat angles C4'-P-C4' energy: -100.544 flat angles P-C4'-P energy: -64.798 tors. eta vs tors. theta energy: -30.478 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: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -640.169688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.169688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.169688 (E_RNA) where: Base-Base interactions energy: -279.723 where: short stacking energy: -175.005 Base-Backbone interact. energy: -0.665 local terms energy: -359.782011 where: bonds (distance) C4'-P energy: -93.587 bonds (distance) P-C4' energy: -109.280 flat angles C4'-P-C4' energy: -100.986 flat angles P-C4'-P energy: -51.495 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -483.541763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.541763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.541763 (E_RNA) where: Base-Base interactions energy: -173.819 where: short stacking energy: -126.355 Base-Backbone interact. energy: 2.364 local terms energy: -312.086418 where: bonds (distance) C4'-P energy: -94.699 bonds (distance) P-C4' energy: -107.802 flat angles C4'-P-C4' energy: -83.306 flat angles P-C4'-P energy: -43.379 tors. eta vs tors. theta energy: 17.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2082.446705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.446705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.446705 (E_RNA) where: Base-Base interactions energy: -1432.927 where: short stacking energy: -607.621 Base-Backbone interact. energy: 0.672 local terms energy: -650.192034 where: bonds (distance) C4'-P energy: -119.546 bonds (distance) P-C4' energy: -123.652 flat angles C4'-P-C4' energy: -139.805 flat angles P-C4'-P energy: -89.192 tors. eta vs tors. theta energy: -177.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2046.407507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.407507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.407507 (E_RNA) where: Base-Base interactions energy: -1382.988 where: short stacking energy: -570.988 Base-Backbone interact. energy: -0.679 local terms energy: -662.740571 where: bonds (distance) C4'-P energy: -117.635 bonds (distance) P-C4' energy: -128.095 flat angles C4'-P-C4' energy: -139.005 flat angles P-C4'-P energy: -87.455 tors. eta vs tors. theta energy: -190.551 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: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1918.630001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.630001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.630001 (E_RNA) where: Base-Base interactions energy: -1311.770 where: short stacking energy: -554.670 Base-Backbone interact. energy: -0.807 local terms energy: -606.052541 where: bonds (distance) C4'-P energy: -109.752 bonds (distance) P-C4' energy: -100.496 flat angles C4'-P-C4' energy: -145.919 flat angles P-C4'-P energy: -85.417 tors. eta vs tors. theta energy: -164.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1866.195601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.195601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.195601 (E_RNA) where: Base-Base interactions energy: -1268.820 where: short stacking energy: -535.194 Base-Backbone interact. energy: 0.509 local terms energy: -597.884656 where: bonds (distance) C4'-P energy: -116.636 bonds (distance) P-C4' energy: -126.490 flat angles C4'-P-C4' energy: -125.974 flat angles P-C4'-P energy: -66.142 tors. eta vs tors. theta energy: -162.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1549.065029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.065029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.065029 (E_RNA) where: Base-Base interactions energy: -984.375 where: short stacking energy: -441.219 Base-Backbone interact. energy: -4.017 local terms energy: -560.673767 where: bonds (distance) C4'-P energy: -116.172 bonds (distance) P-C4' energy: -112.345 flat angles C4'-P-C4' energy: -124.214 flat angles P-C4'-P energy: -81.085 tors. eta vs tors. theta energy: -126.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1483.144282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.144282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.144282 (E_RNA) where: Base-Base interactions energy: -967.754 where: short stacking energy: -444.094 Base-Backbone interact. energy: -1.786 local terms energy: -513.603958 where: bonds (distance) C4'-P energy: -105.942 bonds (distance) P-C4' energy: -119.402 flat angles C4'-P-C4' energy: -100.850 flat angles P-C4'-P energy: -71.937 tors. eta vs tors. theta energy: -115.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1300.562208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.562208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.562208 (E_RNA) where: Base-Base interactions energy: -804.296 where: short stacking energy: -347.649 Base-Backbone interact. energy: 0.865 local terms energy: -497.131015 where: bonds (distance) C4'-P energy: -108.186 bonds (distance) P-C4' energy: -120.477 flat angles C4'-P-C4' energy: -108.645 flat angles P-C4'-P energy: -81.737 tors. eta vs tors. theta energy: -78.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -879.594688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.594688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.594688 (E_RNA) where: Base-Base interactions energy: -495.432 where: short stacking energy: -252.693 Base-Backbone interact. energy: -0.891 local terms energy: -383.271617 where: bonds (distance) C4'-P energy: -93.107 bonds (distance) P-C4' energy: -86.865 flat angles C4'-P-C4' energy: -101.105 flat angles P-C4'-P energy: -68.236 tors. eta vs tors. theta energy: -33.959 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: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -565.392014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.392014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.392014 (E_RNA) where: Base-Base interactions energy: -222.404 where: short stacking energy: -151.397 Base-Backbone interact. energy: -0.953 local terms energy: -342.034661 where: bonds (distance) C4'-P energy: -115.988 bonds (distance) P-C4' energy: -107.810 flat angles C4'-P-C4' energy: -80.464 flat angles P-C4'-P energy: -55.990 tors. eta vs tors. theta energy: 18.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -505.767936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.767936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.767936 (E_RNA) where: Base-Base interactions energy: -157.915 where: short stacking energy: -146.619 Base-Backbone interact. energy: -0.780 local terms energy: -347.072207 where: bonds (distance) C4'-P energy: -113.623 bonds (distance) P-C4' energy: -108.010 flat angles C4'-P-C4' energy: -92.134 flat angles P-C4'-P energy: -40.134 tors. eta vs tors. theta energy: 6.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2117.668671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.668671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.668671 (E_RNA) where: Base-Base interactions energy: -1470.683 where: short stacking energy: -615.870 Base-Backbone interact. energy: -1.180 local terms energy: -645.804974 where: bonds (distance) C4'-P energy: -117.352 bonds (distance) P-C4' energy: -126.737 flat angles C4'-P-C4' energy: -138.021 flat angles P-C4'-P energy: -80.102 tors. eta vs tors. theta energy: -183.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2088.399512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.399512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.399512 (E_RNA) where: Base-Base interactions energy: -1447.036 where: short stacking energy: -584.616 Base-Backbone interact. energy: -3.051 local terms energy: -638.312139 where: bonds (distance) C4'-P energy: -117.226 bonds (distance) P-C4' energy: -111.244 flat angles C4'-P-C4' energy: -128.848 flat angles P-C4'-P energy: -91.375 tors. eta vs tors. theta energy: -189.619 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: 3, replica: 5 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1930.637350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.637350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.637350 (E_RNA) where: Base-Base interactions energy: -1333.684 where: short stacking energy: -540.559 Base-Backbone interact. energy: -4.324 local terms energy: -592.629522 where: bonds (distance) C4'-P energy: -103.600 bonds (distance) P-C4' energy: -104.326 flat angles C4'-P-C4' energy: -124.831 flat angles P-C4'-P energy: -98.331 tors. eta vs tors. theta energy: -161.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1839.729629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.729629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.729629 (E_RNA) where: Base-Base interactions energy: -1252.119 where: short stacking energy: -526.044 Base-Backbone interact. energy: 2.053 local terms energy: -589.663842 where: bonds (distance) C4'-P energy: -113.055 bonds (distance) P-C4' energy: -122.110 flat angles C4'-P-C4' energy: -120.896 flat angles P-C4'-P energy: -84.402 tors. eta vs tors. theta energy: -149.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1574.302125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.302125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.302125 (E_RNA) where: Base-Base interactions energy: -1057.293 where: short stacking energy: -476.677 Base-Backbone interact. energy: 0.311 local terms energy: -517.319726 where: bonds (distance) C4'-P energy: -113.494 bonds (distance) P-C4' energy: -110.841 flat angles C4'-P-C4' energy: -109.036 flat angles P-C4'-P energy: -69.465 tors. eta vs tors. theta energy: -114.484 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: 10 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1554.241370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.241370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.241370 (E_RNA) where: Base-Base interactions energy: -1048.049 where: short stacking energy: -455.592 Base-Backbone interact. energy: 1.599 local terms energy: -507.791072 where: bonds (distance) C4'-P energy: -100.513 bonds (distance) P-C4' energy: -89.289 flat angles C4'-P-C4' energy: -119.337 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -121.451 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: 7, replica: 4 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1298.107099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.107099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.107099 (E_RNA) where: Base-Base interactions energy: -817.777 where: short stacking energy: -390.625 Base-Backbone interact. energy: -1.726 local terms energy: -478.604181 where: bonds (distance) C4'-P energy: -116.975 bonds (distance) P-C4' energy: -87.879 flat angles C4'-P-C4' energy: -111.443 flat angles P-C4'-P energy: -68.128 tors. eta vs tors. theta energy: -94.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -853.569027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.569027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.569027 (E_RNA) where: Base-Base interactions energy: -475.041 where: short stacking energy: -245.068 Base-Backbone interact. energy: -1.037 local terms energy: -377.490940 where: bonds (distance) C4'-P energy: -96.714 bonds (distance) P-C4' energy: -95.263 flat angles C4'-P-C4' energy: -96.205 flat angles P-C4'-P energy: -59.969 tors. eta vs tors. theta energy: -29.341 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: 8 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -580.610930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.610930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.610930 (E_RNA) where: Base-Base interactions energy: -271.109 where: short stacking energy: -150.221 Base-Backbone interact. energy: 0.717 local terms energy: -310.218721 where: bonds (distance) C4'-P energy: -99.647 bonds (distance) P-C4' energy: -87.081 flat angles C4'-P-C4' energy: -83.053 flat angles P-C4'-P energy: -59.289 tors. eta vs tors. theta energy: 18.850 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: 10, replica: 9 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -486.795901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.795901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.795901 (E_RNA) where: Base-Base interactions energy: -166.954 where: short stacking energy: -121.763 Base-Backbone interact. energy: -0.531 local terms energy: -319.310635 where: bonds (distance) C4'-P energy: -97.205 bonds (distance) P-C4' energy: -106.083 flat angles C4'-P-C4' energy: -86.555 flat angles P-C4'-P energy: -56.140 tors. eta vs tors. theta energy: 26.673 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: 1 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2112.745128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.745128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.745128 (E_RNA) where: Base-Base interactions energy: -1456.731 where: short stacking energy: -622.371 Base-Backbone interact. energy: -3.526 local terms energy: -652.488891 where: bonds (distance) C4'-P energy: -122.857 bonds (distance) P-C4' energy: -124.502 flat angles C4'-P-C4' energy: -139.154 flat angles P-C4'-P energy: -81.187 tors. eta vs tors. theta energy: -184.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2094.806782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.806782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.806782 (E_RNA) where: Base-Base interactions energy: -1449.763 where: short stacking energy: -625.955 Base-Backbone interact. energy: -2.541 local terms energy: -642.503011 where: bonds (distance) C4'-P energy: -101.791 bonds (distance) P-C4' energy: -121.918 flat angles C4'-P-C4' energy: -139.697 flat angles P-C4'-P energy: -96.505 tors. eta vs tors. theta energy: -182.592 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: 5 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1951.155498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.155498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.155498 (E_RNA) where: Base-Base interactions energy: -1342.636 where: short stacking energy: -560.976 Base-Backbone interact. energy: -0.053 local terms energy: -608.466625 where: bonds (distance) C4'-P energy: -123.094 bonds (distance) P-C4' energy: -112.586 flat angles C4'-P-C4' energy: -138.487 flat angles P-C4'-P energy: -84.964 tors. eta vs tors. theta energy: -149.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1874.247861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.247861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.247861 (E_RNA) where: Base-Base interactions energy: -1278.816 where: short stacking energy: -512.598 Base-Backbone interact. energy: -2.019 local terms energy: -593.413533 where: bonds (distance) C4'-P energy: -114.365 bonds (distance) P-C4' energy: -114.097 flat angles C4'-P-C4' energy: -126.118 flat angles P-C4'-P energy: -80.969 tors. eta vs tors. theta energy: -157.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1620.920135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.920135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.920135 (E_RNA) where: Base-Base interactions energy: -1064.232 where: short stacking energy: -458.098 Base-Backbone interact. energy: -2.900 local terms energy: -553.788536 where: bonds (distance) C4'-P energy: -103.468 bonds (distance) P-C4' energy: -106.941 flat angles C4'-P-C4' energy: -116.668 flat angles P-C4'-P energy: -80.247 tors. eta vs tors. theta energy: -146.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1517.998105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.998105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.998105 (E_RNA) where: Base-Base interactions energy: -994.025 where: short stacking energy: -427.930 Base-Backbone interact. energy: -2.212 local terms energy: -521.761812 where: bonds (distance) C4'-P energy: -120.301 bonds (distance) P-C4' energy: -110.831 flat angles C4'-P-C4' energy: -103.812 flat angles P-C4'-P energy: -68.137 tors. eta vs tors. theta energy: -118.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1317.499070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.499070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.499070 (E_RNA) where: Base-Base interactions energy: -836.033 where: short stacking energy: -401.289 Base-Backbone interact. energy: 0.515 local terms energy: -481.981402 where: bonds (distance) C4'-P energy: -90.118 bonds (distance) P-C4' energy: -94.287 flat angles C4'-P-C4' energy: -104.047 flat angles P-C4'-P energy: -79.564 tors. eta vs tors. theta energy: -113.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -879.575592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.575592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.575592 (E_RNA) where: Base-Base interactions energy: -498.949 where: short stacking energy: -236.672 Base-Backbone interact. energy: 0.185 local terms energy: -380.811594 where: bonds (distance) C4'-P energy: -80.751 bonds (distance) P-C4' energy: -104.803 flat angles C4'-P-C4' energy: -107.239 flat angles P-C4'-P energy: -70.177 tors. eta vs tors. theta energy: -17.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -559.589926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.589926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.589926 (E_RNA) where: Base-Base interactions energy: -196.383 where: short stacking energy: -133.052 Base-Backbone interact. energy: 2.394 local terms energy: -365.601340 where: bonds (distance) C4'-P energy: -110.216 bonds (distance) P-C4' energy: -102.941 flat angles C4'-P-C4' energy: -95.528 flat angles P-C4'-P energy: -60.880 tors. eta vs tors. theta energy: 3.964 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: 9 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -471.207604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.207604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.207604 (E_RNA) where: Base-Base interactions energy: -178.133 where: short stacking energy: -117.604 Base-Backbone interact. energy: -1.174 local terms energy: -291.900541 where: bonds (distance) C4'-P energy: -103.214 bonds (distance) P-C4' energy: -120.532 flat angles C4'-P-C4' energy: -75.950 flat angles P-C4'-P energy: -33.421 tors. eta vs tors. theta energy: 41.217 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: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2102.729628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.729628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.729628 (E_RNA) where: Base-Base interactions energy: -1453.349 where: short stacking energy: -598.971 Base-Backbone interact. energy: -0.599 local terms energy: -648.781610 where: bonds (distance) C4'-P energy: -116.405 bonds (distance) P-C4' energy: -121.213 flat angles C4'-P-C4' energy: -141.152 flat angles P-C4'-P energy: -82.727 tors. eta vs tors. theta energy: -187.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2050.068709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.068709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.068709 (E_RNA) where: Base-Base interactions energy: -1406.631 where: short stacking energy: -597.990 Base-Backbone interact. energy: -5.734 local terms energy: -637.703991 where: bonds (distance) C4'-P energy: -115.183 bonds (distance) P-C4' energy: -119.725 flat angles C4'-P-C4' energy: -137.318 flat angles P-C4'-P energy: -91.813 tors. eta vs tors. theta energy: -173.665 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: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1991.898644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.898644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.898644 (E_RNA) where: Base-Base interactions energy: -1419.306 where: short stacking energy: -574.780 Base-Backbone interact. energy: -2.607 local terms energy: -569.984977 where: bonds (distance) C4'-P energy: -105.710 bonds (distance) P-C4' energy: -103.696 flat angles C4'-P-C4' energy: -129.806 flat angles P-C4'-P energy: -67.860 tors. eta vs tors. theta energy: -162.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1847.351578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.351578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.351578 (E_RNA) where: Base-Base interactions energy: -1259.837 where: short stacking energy: -497.732 Base-Backbone interact. energy: 2.255 local terms energy: -589.769536 where: bonds (distance) C4'-P energy: -111.557 bonds (distance) P-C4' energy: -107.856 flat angles C4'-P-C4' energy: -136.358 flat angles P-C4'-P energy: -70.123 tors. eta vs tors. theta energy: -163.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1610.873923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.873923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.873923 (E_RNA) where: Base-Base interactions energy: -1034.300 where: short stacking energy: -443.727 Base-Backbone interact. energy: -2.733 local terms energy: -573.840690 where: bonds (distance) C4'-P energy: -133.330 bonds (distance) P-C4' energy: -112.673 flat angles C4'-P-C4' energy: -112.617 flat angles P-C4'-P energy: -74.868 tors. eta vs tors. theta energy: -140.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1475.195555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.195555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.195555 (E_RNA) where: Base-Base interactions energy: -974.063 where: short stacking energy: -418.086 Base-Backbone interact. energy: 2.282 local terms energy: -503.414954 where: bonds (distance) C4'-P energy: -91.614 bonds (distance) P-C4' energy: -92.730 flat angles C4'-P-C4' energy: -112.380 flat angles P-C4'-P energy: -84.219 tors. eta vs tors. theta energy: -122.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1353.990166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.990166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.990166 (E_RNA) where: Base-Base interactions energy: -855.073 where: short stacking energy: -399.427 Base-Backbone interact. energy: -1.375 local terms energy: -497.542951 where: bonds (distance) C4'-P energy: -109.633 bonds (distance) P-C4' energy: -104.201 flat angles C4'-P-C4' energy: -116.284 flat angles P-C4'-P energy: -65.209 tors. eta vs tors. theta energy: -102.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -803.302404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.302404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.302404 (E_RNA) where: Base-Base interactions energy: -457.985 where: short stacking energy: -203.813 Base-Backbone interact. energy: 0.478 local terms energy: -345.795188 where: bonds (distance) C4'-P energy: -84.532 bonds (distance) P-C4' energy: -93.193 flat angles C4'-P-C4' energy: -110.736 flat angles P-C4'-P energy: -51.828 tors. eta vs tors. theta energy: -5.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -585.816341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.816341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.816341 (E_RNA) where: Base-Base interactions energy: -261.412 where: short stacking energy: -162.037 Base-Backbone interact. energy: 2.833 local terms energy: -327.237527 where: bonds (distance) C4'-P energy: -93.341 bonds (distance) P-C4' energy: -108.969 flat angles C4'-P-C4' energy: -64.492 flat angles P-C4'-P energy: -63.084 tors. eta vs tors. theta energy: 2.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -456.137762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.137762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.137762 (E_RNA) where: Base-Base interactions energy: -149.336 where: short stacking energy: -125.472 Base-Backbone interact. energy: -2.384 local terms energy: -304.418344 where: bonds (distance) C4'-P energy: -79.419 bonds (distance) P-C4' energy: -106.085 flat angles C4'-P-C4' energy: -80.016 flat angles P-C4'-P energy: -62.067 tors. eta vs tors. theta energy: 23.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2094.645844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.645844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.645844 (E_RNA) where: Base-Base interactions energy: -1426.048 where: short stacking energy: -590.841 Base-Backbone interact. energy: -1.672 local terms energy: -666.926224 where: bonds (distance) C4'-P energy: -123.998 bonds (distance) P-C4' energy: -120.971 flat angles C4'-P-C4' energy: -144.459 flat angles P-C4'-P energy: -94.376 tors. eta vs tors. theta energy: -183.123 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: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2044.246170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.246170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.246170 (E_RNA) where: Base-Base interactions energy: -1404.783 where: short stacking energy: -602.423 Base-Backbone interact. energy: -0.656 local terms energy: -638.807013 where: bonds (distance) C4'-P energy: -111.881 bonds (distance) P-C4' energy: -122.835 flat angles C4'-P-C4' energy: -127.605 flat angles P-C4'-P energy: -104.794 tors. eta vs tors. theta energy: -171.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1984.890768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.890768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.890768 (E_RNA) where: Base-Base interactions energy: -1360.932 where: short stacking energy: -557.106 Base-Backbone interact. energy: -3.340 local terms energy: -620.618778 where: bonds (distance) C4'-P energy: -121.673 bonds (distance) P-C4' energy: -105.237 flat angles C4'-P-C4' energy: -129.880 flat angles P-C4'-P energy: -98.846 tors. eta vs tors. theta energy: -164.984 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: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1872.448820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.448820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.448820 (E_RNA) where: Base-Base interactions energy: -1268.437 where: short stacking energy: -511.706 Base-Backbone interact. energy: -3.784 local terms energy: -600.227632 where: bonds (distance) C4'-P energy: -96.055 bonds (distance) P-C4' energy: -111.671 flat angles C4'-P-C4' energy: -142.211 flat angles P-C4'-P energy: -79.212 tors. eta vs tors. theta energy: -171.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1608.960210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.960210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.960210 (E_RNA) where: Base-Base interactions energy: -1075.304 where: short stacking energy: -492.039 Base-Backbone interact. energy: -0.678 local terms energy: -532.978838 where: bonds (distance) C4'-P energy: -72.837 bonds (distance) P-C4' energy: -126.422 flat angles C4'-P-C4' energy: -126.395 flat angles P-C4'-P energy: -77.775 tors. eta vs tors. theta energy: -129.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1477.103310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.103310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.103310 (E_RNA) where: Base-Base interactions energy: -975.782 where: short stacking energy: -423.666 Base-Backbone interact. energy: 1.796 local terms energy: -503.117446 where: bonds (distance) C4'-P energy: -92.614 bonds (distance) P-C4' energy: -119.729 flat angles C4'-P-C4' energy: -118.726 flat angles P-C4'-P energy: -63.600 tors. eta vs tors. theta energy: -108.449 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: 219 Temperature: 1.200000 Total energy: -1338.878350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.878350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.878350 (E_RNA) where: Base-Base interactions energy: -862.645 where: short stacking energy: -374.407 Base-Backbone interact. energy: -0.437 local terms energy: -475.796056 where: bonds (distance) C4'-P energy: -96.593 bonds (distance) P-C4' energy: -104.766 flat angles C4'-P-C4' energy: -116.611 flat angles P-C4'-P energy: -65.482 tors. eta vs tors. theta energy: -92.344 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: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -894.932235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.932235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.932235 (E_RNA) where: Base-Base interactions energy: -509.445 where: short stacking energy: -221.687 Base-Backbone interact. energy: 0.545 local terms energy: -386.032534 where: bonds (distance) C4'-P energy: -104.647 bonds (distance) P-C4' energy: -103.739 flat angles C4'-P-C4' energy: -100.155 flat angles P-C4'-P energy: -64.025 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: 9, replica: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -604.923340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.923340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.923340 (E_RNA) where: Base-Base interactions energy: -250.295 where: short stacking energy: -167.795 Base-Backbone interact. energy: -2.255 local terms energy: -352.373072 where: bonds (distance) C4'-P energy: -89.405 bonds (distance) P-C4' energy: -107.397 flat angles C4'-P-C4' energy: -96.786 flat angles P-C4'-P energy: -65.382 tors. eta vs tors. theta energy: 6.598 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: 9 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -465.277513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.277513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.277513 (E_RNA) where: Base-Base interactions energy: -179.632 where: short stacking energy: -133.099 Base-Backbone interact. energy: -0.675 local terms energy: -284.970323 where: bonds (distance) C4'-P energy: -83.771 bonds (distance) P-C4' energy: -112.527 flat angles C4'-P-C4' energy: -61.541 flat angles P-C4'-P energy: -28.033 tors. eta vs tors. theta energy: 0.901 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: 1, replica: 7 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2086.310131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.310131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.310131 (E_RNA) where: Base-Base interactions energy: -1421.963 where: short stacking energy: -588.699 Base-Backbone interact. energy: -3.269 local terms energy: -661.078054 where: bonds (distance) C4'-P energy: -123.722 bonds (distance) P-C4' energy: -124.604 flat angles C4'-P-C4' energy: -143.329 flat angles P-C4'-P energy: -94.369 tors. eta vs tors. theta energy: -175.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2056.832707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.832707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.832707 (E_RNA) where: Base-Base interactions energy: -1408.430 where: short stacking energy: -602.355 Base-Backbone interact. energy: -0.284 local terms energy: -648.119089 where: bonds (distance) C4'-P energy: -115.190 bonds (distance) P-C4' energy: -127.413 flat angles C4'-P-C4' energy: -127.909 flat angles P-C4'-P energy: -99.306 tors. eta vs tors. theta energy: -178.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1960.453074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.453074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.453074 (E_RNA) where: Base-Base interactions energy: -1360.218 where: short stacking energy: -567.146 Base-Backbone interact. energy: 1.111 local terms energy: -601.345897 where: bonds (distance) C4'-P energy: -111.694 bonds (distance) P-C4' energy: -108.243 flat angles C4'-P-C4' energy: -127.268 flat angles P-C4'-P energy: -88.725 tors. eta vs tors. theta energy: -165.416 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: 220 Temperature: 1.050000 Total energy: -1810.004242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.004242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.004242 (E_RNA) where: Base-Base interactions energy: -1209.622 where: short stacking energy: -503.107 Base-Backbone interact. energy: -5.177 local terms energy: -595.205315 where: bonds (distance) C4'-P energy: -108.684 bonds (distance) P-C4' energy: -118.826 flat angles C4'-P-C4' energy: -141.343 flat angles P-C4'-P energy: -77.945 tors. eta vs tors. theta energy: -148.407 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: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1583.373692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.373692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.373692 (E_RNA) where: Base-Base interactions energy: -1030.604 where: short stacking energy: -454.450 Base-Backbone interact. energy: -1.389 local terms energy: -551.380335 where: bonds (distance) C4'-P energy: -109.330 bonds (distance) P-C4' energy: -114.487 flat angles C4'-P-C4' energy: -124.577 flat angles P-C4'-P energy: -81.524 tors. eta vs tors. theta energy: -121.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1503.812561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.812561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.812561 (E_RNA) where: Base-Base interactions energy: -973.035 where: short stacking energy: -417.269 Base-Backbone interact. energy: -0.472 local terms energy: -530.304916 where: bonds (distance) C4'-P energy: -93.986 bonds (distance) P-C4' energy: -120.089 flat angles C4'-P-C4' energy: -114.537 flat angles P-C4'-P energy: -91.647 tors. eta vs tors. theta energy: -110.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1368.727137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.727137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.727137 (E_RNA) where: Base-Base interactions energy: -868.379 where: short stacking energy: -412.368 Base-Backbone interact. energy: -1.695 local terms energy: -498.653205 where: bonds (distance) C4'-P energy: -108.917 bonds (distance) P-C4' energy: -110.885 flat angles C4'-P-C4' energy: -111.723 flat angles P-C4'-P energy: -71.479 tors. eta vs tors. theta energy: -95.649 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: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -812.584199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.584199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.584199 (E_RNA) where: Base-Base interactions energy: -455.167 where: short stacking energy: -212.082 Base-Backbone interact. energy: -0.358 local terms energy: -357.059139 where: bonds (distance) C4'-P energy: -89.858 bonds (distance) P-C4' energy: -105.006 flat angles C4'-P-C4' energy: -104.307 flat angles P-C4'-P energy: -42.878 tors. eta vs tors. theta energy: -15.011 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: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -582.867571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.867571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.867571 (E_RNA) where: Base-Base interactions energy: -252.459 where: short stacking energy: -153.727 Base-Backbone interact. energy: -0.113 local terms energy: -330.295661 where: bonds (distance) C4'-P energy: -92.829 bonds (distance) P-C4' energy: -114.399 flat angles C4'-P-C4' energy: -90.942 flat angles P-C4'-P energy: -39.404 tors. eta vs tors. theta energy: 7.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -472.679625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.679625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.679625 (E_RNA) where: Base-Base interactions energy: -157.175 where: short stacking energy: -136.493 Base-Backbone interact. energy: -1.219 local terms energy: -314.284706 where: bonds (distance) C4'-P energy: -92.988 bonds (distance) P-C4' energy: -80.624 flat angles C4'-P-C4' energy: -93.426 flat angles P-C4'-P energy: -53.301 tors. eta vs tors. theta energy: 6.053 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: 1, replica: 7 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2096.366946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.366946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.366946 (E_RNA) where: Base-Base interactions energy: -1436.490 where: short stacking energy: -593.695 Base-Backbone interact. energy: 1.272 local terms energy: -661.149038 where: bonds (distance) C4'-P energy: -120.357 bonds (distance) P-C4' energy: -127.569 flat angles C4'-P-C4' energy: -127.646 flat angles P-C4'-P energy: -97.087 tors. eta vs tors. theta energy: -188.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2039.878381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.878381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.878381 (E_RNA) where: Base-Base interactions energy: -1376.914 where: short stacking energy: -573.888 Base-Backbone interact. energy: -4.991 local terms energy: -657.973622 where: bonds (distance) C4'-P energy: -117.978 bonds (distance) P-C4' energy: -125.125 flat angles C4'-P-C4' energy: -135.123 flat angles P-C4'-P energy: -104.234 tors. eta vs tors. theta energy: -175.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1949.474556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.474556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.474556 (E_RNA) where: Base-Base interactions energy: -1366.643 where: short stacking energy: -551.825 Base-Backbone interact. energy: -1.208 local terms energy: -581.623507 where: bonds (distance) C4'-P energy: -92.478 bonds (distance) P-C4' energy: -106.350 flat angles C4'-P-C4' energy: -137.664 flat angles P-C4'-P energy: -79.545 tors. eta vs tors. theta energy: -165.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1768.114662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.114662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.114662 (E_RNA) where: Base-Base interactions energy: -1188.574 where: short stacking energy: -503.134 Base-Backbone interact. energy: 0.349 local terms energy: -579.889396 where: bonds (distance) C4'-P energy: -108.552 bonds (distance) P-C4' energy: -112.744 flat angles C4'-P-C4' energy: -126.366 flat angles P-C4'-P energy: -83.224 tors. eta vs tors. theta energy: -149.002 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: 221 Temperature: 1.100000 Total energy: -1613.281854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.281854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.281854 (E_RNA) where: Base-Base interactions energy: -1070.231 where: short stacking energy: -489.817 Base-Backbone interact. energy: -3.915 local terms energy: -539.136405 where: bonds (distance) C4'-P energy: -94.319 bonds (distance) P-C4' energy: -122.006 flat angles C4'-P-C4' energy: -122.681 flat angles P-C4'-P energy: -67.363 tors. eta vs tors. theta energy: -132.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1460.581927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.581927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.581927 (E_RNA) where: Base-Base interactions energy: -991.050 where: short stacking energy: -415.212 Base-Backbone interact. energy: 1.241 local terms energy: -470.772475 where: bonds (distance) C4'-P energy: -108.534 bonds (distance) P-C4' energy: -99.528 flat angles C4'-P-C4' energy: -88.732 flat angles P-C4'-P energy: -73.642 tors. eta vs tors. theta energy: -100.337 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: 221 Temperature: 1.200000 Total energy: -1353.031362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.031362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.031362 (E_RNA) where: Base-Base interactions energy: -869.606 where: short stacking energy: -409.549 Base-Backbone interact. energy: 5.650 local terms energy: -489.075074 where: bonds (distance) C4'-P energy: -93.823 bonds (distance) P-C4' energy: -101.433 flat angles C4'-P-C4' energy: -108.263 flat angles P-C4'-P energy: -78.589 tors. eta vs tors. theta energy: -106.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -852.158434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.158434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.158434 (E_RNA) where: Base-Base interactions energy: -485.966 where: short stacking energy: -246.034 Base-Backbone interact. energy: 0.327 local terms energy: -366.519260 where: bonds (distance) C4'-P energy: -99.549 bonds (distance) P-C4' energy: -112.025 flat angles C4'-P-C4' energy: -80.415 flat angles P-C4'-P energy: -44.929 tors. eta vs tors. theta energy: -29.601 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: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -636.054312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.054312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.054312 (E_RNA) where: Base-Base interactions energy: -286.290 where: short stacking energy: -163.964 Base-Backbone interact. energy: 2.082 local terms energy: -351.846605 where: bonds (distance) C4'-P energy: -112.537 bonds (distance) P-C4' energy: -94.651 flat angles C4'-P-C4' energy: -77.177 flat angles P-C4'-P energy: -62.789 tors. eta vs tors. theta energy: -4.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -464.291730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.291730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.291730 (E_RNA) where: Base-Base interactions energy: -170.038 where: short stacking energy: -142.168 Base-Backbone interact. energy: -0.310 local terms energy: -293.943653 where: bonds (distance) C4'-P energy: -89.954 bonds (distance) P-C4' energy: -87.100 flat angles C4'-P-C4' energy: -74.697 flat angles P-C4'-P energy: -43.148 tors. eta vs tors. theta energy: 0.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2085.281405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.281405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.281405 (E_RNA) where: Base-Base interactions energy: -1448.673 where: short stacking energy: -597.797 Base-Backbone interact. energy: -1.637 local terms energy: -634.971419 where: bonds (distance) C4'-P energy: -118.349 bonds (distance) P-C4' energy: -113.787 flat angles C4'-P-C4' energy: -134.634 flat angles P-C4'-P energy: -95.262 tors. eta vs tors. theta energy: -172.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2032.719411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.719411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.719411 (E_RNA) where: Base-Base interactions energy: -1389.714 where: short stacking energy: -596.804 Base-Backbone interact. energy: -0.569 local terms energy: -642.436661 where: bonds (distance) C4'-P energy: -106.197 bonds (distance) P-C4' energy: -121.502 flat angles C4'-P-C4' energy: -141.869 flat angles P-C4'-P energy: -93.966 tors. eta vs tors. theta energy: -178.901 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: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1954.401172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.401172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.401172 (E_RNA) where: Base-Base interactions energy: -1314.630 where: short stacking energy: -550.706 Base-Backbone interact. energy: -0.389 local terms energy: -639.381446 where: bonds (distance) C4'-P energy: -131.665 bonds (distance) P-C4' energy: -126.924 flat angles C4'-P-C4' energy: -131.051 flat angles P-C4'-P energy: -83.642 tors. eta vs tors. theta energy: -166.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1787.843507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.843507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.843507 (E_RNA) where: Base-Base interactions energy: -1205.782 where: short stacking energy: -522.100 Base-Backbone interact. energy: 1.522 local terms energy: -583.583499 where: bonds (distance) C4'-P energy: -99.327 bonds (distance) P-C4' energy: -123.503 flat angles C4'-P-C4' energy: -132.786 flat angles P-C4'-P energy: -70.490 tors. eta vs tors. theta energy: -157.478 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: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1605.309881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.309881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.309881 (E_RNA) where: Base-Base interactions energy: -1052.854 where: short stacking energy: -455.775 Base-Backbone interact. energy: 3.576 local terms energy: -556.031526 where: bonds (distance) C4'-P energy: -105.247 bonds (distance) P-C4' energy: -127.371 flat angles C4'-P-C4' energy: -122.099 flat angles P-C4'-P energy: -81.091 tors. eta vs tors. theta energy: -120.224 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: 222 Temperature: 1.150000 Total energy: -1472.659437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.659437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.659437 (E_RNA) where: Base-Base interactions energy: -968.451 where: short stacking energy: -397.091 Base-Backbone interact. energy: -2.104 local terms energy: -502.104555 where: bonds (distance) C4'-P energy: -95.046 bonds (distance) P-C4' energy: -104.065 flat angles C4'-P-C4' energy: -108.929 flat angles P-C4'-P energy: -73.514 tors. eta vs tors. theta energy: -120.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1347.556049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.556049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.556049 (E_RNA) where: Base-Base interactions energy: -877.827 where: short stacking energy: -368.834 Base-Backbone interact. energy: -0.940 local terms energy: -468.788649 where: bonds (distance) C4'-P energy: -99.587 bonds (distance) P-C4' energy: -114.248 flat angles C4'-P-C4' energy: -102.165 flat angles P-C4'-P energy: -59.614 tors. eta vs tors. theta energy: -93.176 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: 8, replica: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -838.014171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.014171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.014171 (E_RNA) where: Base-Base interactions energy: -463.528 where: short stacking energy: -245.291 Base-Backbone interact. energy: -0.260 local terms energy: -374.226898 where: bonds (distance) C4'-P energy: -98.210 bonds (distance) P-C4' energy: -104.475 flat angles C4'-P-C4' energy: -105.831 flat angles P-C4'-P energy: -40.250 tors. eta vs tors. theta energy: -25.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -612.619270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.619270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.619270 (E_RNA) where: Base-Base interactions energy: -293.200 where: short stacking energy: -190.168 Base-Backbone interact. energy: -1.760 local terms energy: -317.659880 where: bonds (distance) C4'-P energy: -74.684 bonds (distance) P-C4' energy: -107.209 flat angles C4'-P-C4' energy: -86.388 flat angles P-C4'-P energy: -50.649 tors. eta vs tors. theta energy: 1.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -549.236260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.236260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.236260 (E_RNA) where: Base-Base interactions energy: -231.922 where: short stacking energy: -164.875 Base-Backbone interact. energy: 2.429 local terms energy: -319.743027 where: bonds (distance) C4'-P energy: -82.949 bonds (distance) P-C4' energy: -89.402 flat angles C4'-P-C4' energy: -91.358 flat angles P-C4'-P energy: -59.254 tors. eta vs tors. theta energy: 3.220 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: 7 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2120.107086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.107086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.107086 (E_RNA) where: Base-Base interactions energy: -1456.878 where: short stacking energy: -616.920 Base-Backbone interact. energy: -1.169 local terms energy: -662.060292 where: bonds (distance) C4'-P energy: -110.011 bonds (distance) P-C4' energy: -126.606 flat angles C4'-P-C4' energy: -140.473 flat angles P-C4'-P energy: -94.507 tors. eta vs tors. theta energy: -190.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1999.776935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.776935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.776935 (E_RNA) where: Base-Base interactions energy: -1382.487 where: short stacking energy: -563.280 Base-Backbone interact. energy: -1.167 local terms energy: -616.123152 where: bonds (distance) C4'-P energy: -103.420 bonds (distance) P-C4' energy: -123.272 flat angles C4'-P-C4' energy: -134.698 flat angles P-C4'-P energy: -86.708 tors. eta vs tors. theta energy: -168.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2038.079834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.079834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.079834 (E_RNA) where: Base-Base interactions energy: -1397.730 where: short stacking energy: -583.368 Base-Backbone interact. energy: -0.777 local terms energy: -639.572734 where: bonds (distance) C4'-P energy: -114.150 bonds (distance) P-C4' energy: -120.373 flat angles C4'-P-C4' energy: -137.987 flat angles P-C4'-P energy: -87.391 tors. eta vs tors. theta energy: -179.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1786.730789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.730789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.730789 (E_RNA) where: Base-Base interactions energy: -1211.211 where: short stacking energy: -521.236 Base-Backbone interact. energy: -0.493 local terms energy: -575.026306 where: bonds (distance) C4'-P energy: -86.733 bonds (distance) P-C4' energy: -106.349 flat angles C4'-P-C4' energy: -136.235 flat angles P-C4'-P energy: -88.655 tors. eta vs tors. theta energy: -157.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1590.836660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.836660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.836660 (E_RNA) where: Base-Base interactions energy: -1021.603 where: short stacking energy: -445.432 Base-Backbone interact. energy: 2.226 local terms energy: -571.459919 where: bonds (distance) C4'-P energy: -120.038 bonds (distance) P-C4' energy: -116.258 flat angles C4'-P-C4' energy: -116.168 flat angles P-C4'-P energy: -87.717 tors. eta vs tors. theta energy: -131.278 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: 10 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1487.715142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.715142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.715142 (E_RNA) where: Base-Base interactions energy: -966.414 where: short stacking energy: -415.738 Base-Backbone interact. energy: -0.446 local terms energy: -520.854881 where: bonds (distance) C4'-P energy: -103.421 bonds (distance) P-C4' energy: -117.214 flat angles C4'-P-C4' energy: -116.329 flat angles P-C4'-P energy: -84.592 tors. eta vs tors. theta energy: -99.299 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: 223 Temperature: 1.200000 Total energy: -1378.345464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.345464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.345464 (E_RNA) where: Base-Base interactions energy: -899.203 where: short stacking energy: -388.316 Base-Backbone interact. energy: -3.341 local terms energy: -475.801727 where: bonds (distance) C4'-P energy: -106.450 bonds (distance) P-C4' energy: -101.696 flat angles C4'-P-C4' energy: -116.846 flat angles P-C4'-P energy: -62.771 tors. eta vs tors. theta energy: -88.038 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: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -882.028931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.028931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.028931 (E_RNA) where: Base-Base interactions energy: -503.757 where: short stacking energy: -256.423 Base-Backbone interact. energy: -2.869 local terms energy: -375.402610 where: bonds (distance) C4'-P energy: -104.452 bonds (distance) P-C4' energy: -95.408 flat angles C4'-P-C4' energy: -105.157 flat angles P-C4'-P energy: -53.404 tors. eta vs tors. theta energy: -16.982 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: 8 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -649.523189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.523189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.523189 (E_RNA) where: Base-Base interactions energy: -298.575 where: short stacking energy: -178.698 Base-Backbone interact. energy: 2.336 local terms energy: -353.283979 where: bonds (distance) C4'-P energy: -97.607 bonds (distance) P-C4' energy: -107.813 flat angles C4'-P-C4' energy: -82.139 flat angles P-C4'-P energy: -58.330 tors. eta vs tors. theta energy: -7.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -451.569925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.569925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.569925 (E_RNA) where: Base-Base interactions energy: -146.778 where: short stacking energy: -106.015 Base-Backbone interact. energy: 0.116 local terms energy: -304.908313 where: bonds (distance) C4'-P energy: -100.216 bonds (distance) P-C4' energy: -104.357 flat angles C4'-P-C4' energy: -75.304 flat angles P-C4'-P energy: -57.625 tors. eta vs tors. theta energy: 32.594 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: 7 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2127.146841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.146841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.146841 (E_RNA) where: Base-Base interactions energy: -1473.096 where: short stacking energy: -622.388 Base-Backbone interact. energy: -1.345 local terms energy: -652.706111 where: bonds (distance) C4'-P energy: -114.608 bonds (distance) P-C4' energy: -120.431 flat angles C4'-P-C4' energy: -136.107 flat angles P-C4'-P energy: -90.265 tors. eta vs tors. theta energy: -191.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2035.908728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.908728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.908728 (E_RNA) where: Base-Base interactions energy: -1405.910 where: short stacking energy: -591.042 Base-Backbone interact. energy: -4.465 local terms energy: -625.533171 where: bonds (distance) C4'-P energy: -108.153 bonds (distance) P-C4' energy: -113.861 flat angles C4'-P-C4' energy: -142.138 flat angles P-C4'-P energy: -91.276 tors. eta vs tors. theta energy: -170.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2003.618034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.618034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.618034 (E_RNA) where: Base-Base interactions energy: -1388.308 where: short stacking energy: -577.726 Base-Backbone interact. energy: -2.510 local terms energy: -612.799735 where: bonds (distance) C4'-P energy: -113.651 bonds (distance) P-C4' energy: -98.586 flat angles C4'-P-C4' energy: -135.320 flat angles P-C4'-P energy: -93.785 tors. eta vs tors. theta energy: -171.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1802.113606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.113606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.113606 (E_RNA) where: Base-Base interactions energy: -1221.870 where: short stacking energy: -487.806 Base-Backbone interact. energy: -3.169 local terms energy: -577.074793 where: bonds (distance) C4'-P energy: -102.315 bonds (distance) P-C4' energy: -117.617 flat angles C4'-P-C4' energy: -128.188 flat angles P-C4'-P energy: -82.973 tors. eta vs tors. theta energy: -145.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1612.227146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.227146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.227146 (E_RNA) where: Base-Base interactions energy: -1055.453 where: short stacking energy: -475.488 Base-Backbone interact. energy: -1.981 local terms energy: -554.793355 where: bonds (distance) C4'-P energy: -113.624 bonds (distance) P-C4' energy: -108.215 flat angles C4'-P-C4' energy: -110.035 flat angles P-C4'-P energy: -87.778 tors. eta vs tors. theta energy: -135.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1446.616467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.616467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.616467 (E_RNA) where: Base-Base interactions energy: -947.254 where: short stacking energy: -397.873 Base-Backbone interact. energy: -1.441 local terms energy: -497.921185 where: bonds (distance) C4'-P energy: -106.026 bonds (distance) P-C4' energy: -111.364 flat angles C4'-P-C4' energy: -120.235 flat angles P-C4'-P energy: -56.353 tors. eta vs tors. theta energy: -103.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1372.550099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.550099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.550099 (E_RNA) where: Base-Base interactions energy: -901.048 where: short stacking energy: -399.280 Base-Backbone interact. energy: -3.848 local terms energy: -467.653684 where: bonds (distance) C4'-P energy: -82.652 bonds (distance) P-C4' energy: -102.403 flat angles C4'-P-C4' energy: -118.154 flat angles P-C4'-P energy: -62.602 tors. eta vs tors. theta energy: -101.843 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: 8, replica: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -887.351601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.351601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.351601 (E_RNA) where: Base-Base interactions energy: -471.545 where: short stacking energy: -235.310 Base-Backbone interact. energy: 0.470 local terms energy: -416.276401 where: bonds (distance) C4'-P energy: -96.429 bonds (distance) P-C4' energy: -96.363 flat angles C4'-P-C4' energy: -105.631 flat angles P-C4'-P energy: -71.680 tors. eta vs tors. theta energy: -46.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -737.011885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.011885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.011885 (E_RNA) where: Base-Base interactions energy: -377.662 where: short stacking energy: -202.864 Base-Backbone interact. energy: -1.234 local terms energy: -358.116058 where: bonds (distance) C4'-P energy: -82.832 bonds (distance) P-C4' energy: -111.958 flat angles C4'-P-C4' energy: -98.469 flat angles P-C4'-P energy: -51.087 tors. eta vs tors. theta energy: -13.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -467.807117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.807117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.807117 (E_RNA) where: Base-Base interactions energy: -164.009 where: short stacking energy: -133.171 Base-Backbone interact. energy: 6.579 local terms energy: -310.377048 where: bonds (distance) C4'-P energy: -86.072 bonds (distance) P-C4' energy: -119.138 flat angles C4'-P-C4' energy: -76.295 flat angles P-C4'-P energy: -49.449 tors. eta vs tors. theta energy: 20.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2132.102196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.102196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.102196 (E_RNA) where: Base-Base interactions energy: -1464.410 where: short stacking energy: -617.921 Base-Backbone interact. energy: -3.720 local terms energy: -663.972470 where: bonds (distance) C4'-P energy: -120.982 bonds (distance) P-C4' energy: -111.695 flat angles C4'-P-C4' energy: -139.468 flat angles P-C4'-P energy: -102.012 tors. eta vs tors. theta energy: -189.816 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: 1 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2083.160182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.160182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.160182 (E_RNA) where: Base-Base interactions energy: -1454.252 where: short stacking energy: -590.499 Base-Backbone interact. energy: -1.918 local terms energy: -626.990491 where: bonds (distance) C4'-P energy: -118.066 bonds (distance) P-C4' energy: -106.779 flat angles C4'-P-C4' energy: -131.937 flat angles P-C4'-P energy: -89.902 tors. eta vs tors. theta energy: -180.307 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: 5 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1974.574661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.574661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.574661 (E_RNA) where: Base-Base interactions energy: -1348.208 where: short stacking energy: -554.527 Base-Backbone interact. energy: 1.286 local terms energy: -627.652809 where: bonds (distance) C4'-P energy: -118.511 bonds (distance) P-C4' energy: -115.450 flat angles C4'-P-C4' energy: -131.533 flat angles P-C4'-P energy: -98.020 tors. eta vs tors. theta energy: -164.139 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: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1828.740778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.740778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.740778 (E_RNA) where: Base-Base interactions energy: -1215.694 where: short stacking energy: -490.970 Base-Backbone interact. energy: -4.392 local terms energy: -608.655389 where: bonds (distance) C4'-P energy: -113.099 bonds (distance) P-C4' energy: -100.555 flat angles C4'-P-C4' energy: -133.784 flat angles P-C4'-P energy: -97.729 tors. eta vs tors. theta energy: -163.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1633.156898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.156898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.156898 (E_RNA) where: Base-Base interactions energy: -1047.368 where: short stacking energy: -464.155 Base-Backbone interact. energy: -0.065 local terms energy: -585.724280 where: bonds (distance) C4'-P energy: -123.471 bonds (distance) P-C4' energy: -100.573 flat angles C4'-P-C4' energy: -131.182 flat angles P-C4'-P energy: -85.517 tors. eta vs tors. theta energy: -144.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1367.352577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.352577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.352577 (E_RNA) where: Base-Base interactions energy: -878.710 where: short stacking energy: -375.675 Base-Backbone interact. energy: -3.484 local terms energy: -485.158752 where: bonds (distance) C4'-P energy: -103.223 bonds (distance) P-C4' energy: -98.908 flat angles C4'-P-C4' energy: -113.687 flat angles P-C4'-P energy: -79.868 tors. eta vs tors. theta energy: -89.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1375.470400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.470400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.470400 (E_RNA) where: Base-Base interactions energy: -868.547 where: short stacking energy: -388.662 Base-Backbone interact. energy: -1.257 local terms energy: -505.666211 where: bonds (distance) C4'-P energy: -111.841 bonds (distance) P-C4' energy: -123.653 flat angles C4'-P-C4' energy: -107.773 flat angles P-C4'-P energy: -76.208 tors. eta vs tors. theta energy: -86.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -877.673574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.673574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.673574 (E_RNA) where: Base-Base interactions energy: -487.159 where: short stacking energy: -238.042 Base-Backbone interact. energy: 6.500 local terms energy: -397.015226 where: bonds (distance) C4'-P energy: -106.352 bonds (distance) P-C4' energy: -114.066 flat angles C4'-P-C4' energy: -112.487 flat angles P-C4'-P energy: -56.082 tors. eta vs tors. theta energy: -8.028 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: 8 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -781.237270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.237270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.237270 (E_RNA) where: Base-Base interactions energy: -364.685 where: short stacking energy: -189.127 Base-Backbone interact. energy: -1.863 local terms energy: -414.688709 where: bonds (distance) C4'-P energy: -97.098 bonds (distance) P-C4' energy: -119.709 flat angles C4'-P-C4' energy: -112.428 flat angles P-C4'-P energy: -66.233 tors. eta vs tors. theta energy: -19.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -494.946241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.946241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.946241 (E_RNA) where: Base-Base interactions energy: -161.529 where: short stacking energy: -140.144 Base-Backbone interact. energy: -1.511 local terms energy: -331.906068 where: bonds (distance) C4'-P energy: -101.767 bonds (distance) P-C4' energy: -122.240 flat angles C4'-P-C4' energy: -91.821 flat angles P-C4'-P energy: -52.008 tors. eta vs tors. theta energy: 35.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2115.009348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.009348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.009348 (E_RNA) where: Base-Base interactions energy: -1451.020 where: short stacking energy: -601.982 Base-Backbone interact. energy: -3.825 local terms energy: -660.164257 where: bonds (distance) C4'-P energy: -130.457 bonds (distance) P-C4' energy: -122.081 flat angles C4'-P-C4' energy: -153.016 flat angles P-C4'-P energy: -75.363 tors. eta vs tors. theta energy: -179.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2107.586655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.586655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.586655 (E_RNA) where: Base-Base interactions energy: -1467.462 where: short stacking energy: -600.965 Base-Backbone interact. energy: 2.392 local terms energy: -642.516952 where: bonds (distance) C4'-P energy: -115.736 bonds (distance) P-C4' energy: -125.113 flat angles C4'-P-C4' energy: -138.602 flat angles P-C4'-P energy: -80.638 tors. eta vs tors. theta energy: -182.428 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: 5 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1973.974860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.974860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.974860 (E_RNA) where: Base-Base interactions energy: -1367.578 where: short stacking energy: -550.327 Base-Backbone interact. energy: -2.332 local terms energy: -604.065029 where: bonds (distance) C4'-P energy: -105.032 bonds (distance) P-C4' energy: -117.914 flat angles C4'-P-C4' energy: -136.469 flat angles P-C4'-P energy: -89.301 tors. eta vs tors. theta energy: -155.349 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: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1815.262842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.262842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.262842 (E_RNA) where: Base-Base interactions energy: -1215.687 where: short stacking energy: -502.570 Base-Backbone interact. energy: -2.753 local terms energy: -596.822621 where: bonds (distance) C4'-P energy: -112.211 bonds (distance) P-C4' energy: -121.413 flat angles C4'-P-C4' energy: -128.463 flat angles P-C4'-P energy: -84.115 tors. eta vs tors. theta energy: -150.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1599.754234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.754234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.754234 (E_RNA) where: Base-Base interactions energy: -1034.104 where: short stacking energy: -466.131 Base-Backbone interact. energy: -2.335 local terms energy: -563.315283 where: bonds (distance) C4'-P energy: -116.125 bonds (distance) P-C4' energy: -106.182 flat angles C4'-P-C4' energy: -129.304 flat angles P-C4'-P energy: -79.447 tors. eta vs tors. theta energy: -132.258 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: 6, replica: 10 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1400.063595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.063595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.063595 (E_RNA) where: Base-Base interactions energy: -888.685 where: short stacking energy: -401.985 Base-Backbone interact. energy: -3.853 local terms energy: -507.525368 where: bonds (distance) C4'-P energy: -106.131 bonds (distance) P-C4' energy: -118.096 flat angles C4'-P-C4' energy: -109.077 flat angles P-C4'-P energy: -66.462 tors. eta vs tors. theta energy: -107.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1328.872154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.872154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.872154 (E_RNA) where: Base-Base interactions energy: -836.065 where: short stacking energy: -371.994 Base-Backbone interact. energy: -2.263 local terms energy: -490.544179 where: bonds (distance) C4'-P energy: -107.983 bonds (distance) P-C4' energy: -102.310 flat angles C4'-P-C4' energy: -111.581 flat angles P-C4'-P energy: -66.284 tors. eta vs tors. theta energy: -102.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -787.798507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.798507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.798507 (E_RNA) where: Base-Base interactions energy: -406.762 where: short stacking energy: -215.448 Base-Backbone interact. energy: 3.753 local terms energy: -384.790137 where: bonds (distance) C4'-P energy: -102.454 bonds (distance) P-C4' energy: -93.448 flat angles C4'-P-C4' energy: -105.223 flat angles P-C4'-P energy: -79.011 tors. eta vs tors. theta energy: -4.653 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: 8 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -646.898770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.898770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.898770 (E_RNA) where: Base-Base interactions energy: -311.073 where: short stacking energy: -174.309 Base-Backbone interact. energy: 9.357 local terms energy: -345.182755 where: bonds (distance) C4'-P energy: -114.048 bonds (distance) P-C4' energy: -94.573 flat angles C4'-P-C4' energy: -100.568 flat angles P-C4'-P energy: -40.866 tors. eta vs tors. theta energy: 4.872 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: 9 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -462.005243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.005243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.005243 (E_RNA) where: Base-Base interactions energy: -159.543 where: short stacking energy: -134.616 Base-Backbone interact. energy: -1.767 local terms energy: -300.695866 where: bonds (distance) C4'-P energy: -78.565 bonds (distance) P-C4' energy: -93.651 flat angles C4'-P-C4' energy: -98.677 flat angles P-C4'-P energy: -52.777 tors. eta vs tors. theta energy: 22.974 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: 7 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2118.717039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.717039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.717039 (E_RNA) where: Base-Base interactions energy: -1457.070 where: short stacking energy: -612.998 Base-Backbone interact. energy: -0.999 local terms energy: -660.648106 where: bonds (distance) C4'-P energy: -125.305 bonds (distance) P-C4' energy: -126.457 flat angles C4'-P-C4' energy: -131.353 flat angles P-C4'-P energy: -89.179 tors. eta vs tors. theta energy: -188.354 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: 1 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2093.755535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.755535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.755535 (E_RNA) where: Base-Base interactions energy: -1437.780 where: short stacking energy: -589.984 Base-Backbone interact. energy: -2.321 local terms energy: -653.654994 where: bonds (distance) C4'-P energy: -119.492 bonds (distance) P-C4' energy: -130.191 flat angles C4'-P-C4' energy: -132.560 flat angles P-C4'-P energy: -97.660 tors. eta vs tors. theta energy: -173.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1979.466054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.466054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.466054 (E_RNA) where: Base-Base interactions energy: -1372.792 where: short stacking energy: -543.695 Base-Backbone interact. energy: -1.226 local terms energy: -605.448252 where: bonds (distance) C4'-P energy: -115.802 bonds (distance) P-C4' energy: -122.308 flat angles C4'-P-C4' energy: -128.323 flat angles P-C4'-P energy: -71.987 tors. eta vs tors. theta energy: -167.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1826.444433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.444433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.444433 (E_RNA) where: Base-Base interactions energy: -1236.604 where: short stacking energy: -507.806 Base-Backbone interact. energy: 0.208 local terms energy: -590.048744 where: bonds (distance) C4'-P energy: -104.789 bonds (distance) P-C4' energy: -118.558 flat angles C4'-P-C4' energy: -139.602 flat angles P-C4'-P energy: -75.008 tors. eta vs tors. theta energy: -152.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1616.933058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.933058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.933058 (E_RNA) where: Base-Base interactions energy: -1029.976 where: short stacking energy: -455.429 Base-Backbone interact. energy: -3.040 local terms energy: -583.917366 where: bonds (distance) C4'-P energy: -116.559 bonds (distance) P-C4' energy: -120.213 flat angles C4'-P-C4' energy: -126.180 flat angles P-C4'-P energy: -82.680 tors. eta vs tors. theta energy: -138.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1337.782287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.782287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.782287 (E_RNA) where: Base-Base interactions energy: -859.426 where: short stacking energy: -368.495 Base-Backbone interact. energy: -3.271 local terms energy: -475.084650 where: bonds (distance) C4'-P energy: -88.128 bonds (distance) P-C4' energy: -93.599 flat angles C4'-P-C4' energy: -126.385 flat angles P-C4'-P energy: -77.328 tors. eta vs tors. theta energy: -89.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1380.262433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.262433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.262433 (E_RNA) where: Base-Base interactions energy: -886.610 where: short stacking energy: -402.553 Base-Backbone interact. energy: -0.038 local terms energy: -493.614308 where: bonds (distance) C4'-P energy: -97.643 bonds (distance) P-C4' energy: -101.985 flat angles C4'-P-C4' energy: -114.049 flat angles P-C4'-P energy: -75.089 tors. eta vs tors. theta energy: -104.848 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: 6 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -830.998438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.998438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.998438 (E_RNA) where: Base-Base interactions energy: -458.808 where: short stacking energy: -245.629 Base-Backbone interact. energy: 2.476 local terms energy: -374.666345 where: bonds (distance) C4'-P energy: -104.279 bonds (distance) P-C4' energy: -99.879 flat angles C4'-P-C4' energy: -95.547 flat angles P-C4'-P energy: -47.872 tors. eta vs tors. theta energy: -27.089 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: 8 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -702.554553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.554553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.554553 (E_RNA) where: Base-Base interactions energy: -359.164 where: short stacking energy: -191.091 Base-Backbone interact. energy: -0.756 local terms energy: -342.633750 where: bonds (distance) C4'-P energy: -85.705 bonds (distance) P-C4' energy: -100.093 flat angles C4'-P-C4' energy: -89.492 flat angles P-C4'-P energy: -65.106 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -481.602731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.602731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.602731 (E_RNA) where: Base-Base interactions energy: -141.467 where: short stacking energy: -126.694 Base-Backbone interact. energy: -0.627 local terms energy: -339.508881 where: bonds (distance) C4'-P energy: -85.650 bonds (distance) P-C4' energy: -122.007 flat angles C4'-P-C4' energy: -91.362 flat angles P-C4'-P energy: -62.569 tors. eta vs tors. theta energy: 22.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2115.425678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.425678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.425678 (E_RNA) where: Base-Base interactions energy: -1449.483 where: short stacking energy: -623.749 Base-Backbone interact. energy: -2.886 local terms energy: -663.057562 where: bonds (distance) C4'-P energy: -123.618 bonds (distance) P-C4' energy: -122.191 flat angles C4'-P-C4' energy: -134.978 flat angles P-C4'-P energy: -100.007 tors. eta vs tors. theta energy: -182.263 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: 1 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2058.756240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.756240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.756240 (E_RNA) where: Base-Base interactions energy: -1453.627 where: short stacking energy: -572.212 Base-Backbone interact. energy: -0.030 local terms energy: -605.099208 where: bonds (distance) C4'-P energy: -103.997 bonds (distance) P-C4' energy: -113.568 flat angles C4'-P-C4' energy: -133.667 flat angles P-C4'-P energy: -88.803 tors. eta vs tors. theta energy: -165.063 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: 3, replica: 5 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1964.231605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.231605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.231605 (E_RNA) where: Base-Base interactions energy: -1346.889 where: short stacking energy: -579.612 Base-Backbone interact. energy: -2.377 local terms energy: -614.965490 where: bonds (distance) C4'-P energy: -119.832 bonds (distance) P-C4' energy: -108.639 flat angles C4'-P-C4' energy: -133.082 flat angles P-C4'-P energy: -89.109 tors. eta vs tors. theta energy: -164.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1780.549786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.549786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.549786 (E_RNA) where: Base-Base interactions energy: -1201.219 where: short stacking energy: -500.919 Base-Backbone interact. energy: -3.392 local terms energy: -575.938474 where: bonds (distance) C4'-P energy: -95.300 bonds (distance) P-C4' energy: -125.588 flat angles C4'-P-C4' energy: -117.678 flat angles P-C4'-P energy: -78.063 tors. eta vs tors. theta energy: -159.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1626.478630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.478630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.478630 (E_RNA) where: Base-Base interactions energy: -1071.147 where: short stacking energy: -482.154 Base-Backbone interact. energy: -3.025 local terms energy: -552.306177 where: bonds (distance) C4'-P energy: -95.853 bonds (distance) P-C4' energy: -105.872 flat angles C4'-P-C4' energy: -119.880 flat angles P-C4'-P energy: -85.499 tors. eta vs tors. theta energy: -145.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1287.829966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.829966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.829966 (E_RNA) where: Base-Base interactions energy: -816.516 where: short stacking energy: -386.995 Base-Backbone interact. energy: -0.181 local terms energy: -471.132667 where: bonds (distance) C4'-P energy: -82.007 bonds (distance) P-C4' energy: -100.965 flat angles C4'-P-C4' energy: -122.388 flat angles P-C4'-P energy: -77.112 tors. eta vs tors. theta energy: -88.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1379.685883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.685883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.685883 (E_RNA) where: Base-Base interactions energy: -879.616 where: short stacking energy: -406.702 Base-Backbone interact. energy: -1.624 local terms energy: -498.446417 where: bonds (distance) C4'-P energy: -116.061 bonds (distance) P-C4' energy: -83.902 flat angles C4'-P-C4' energy: -125.931 flat angles P-C4'-P energy: -78.377 tors. eta vs tors. theta energy: -94.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -817.426253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.426253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.426253 (E_RNA) where: Base-Base interactions energy: -462.545 where: short stacking energy: -222.996 Base-Backbone interact. energy: -1.506 local terms energy: -353.374946 where: bonds (distance) C4'-P energy: -106.960 bonds (distance) P-C4' energy: -99.499 flat angles C4'-P-C4' energy: -75.572 flat angles P-C4'-P energy: -61.836 tors. eta vs tors. theta energy: -9.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -716.987647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.987647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.987647 (E_RNA) where: Base-Base interactions energy: -380.750 where: short stacking energy: -205.110 Base-Backbone interact. energy: 4.851 local terms energy: -341.088954 where: bonds (distance) C4'-P energy: -77.475 bonds (distance) P-C4' energy: -92.687 flat angles C4'-P-C4' energy: -101.972 flat angles P-C4'-P energy: -57.556 tors. eta vs tors. theta energy: -11.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -458.288084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.288084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.288084 (E_RNA) where: Base-Base interactions energy: -148.240 where: short stacking energy: -120.521 Base-Backbone interact. energy: -1.042 local terms energy: -309.006798 where: bonds (distance) C4'-P energy: -92.599 bonds (distance) P-C4' energy: -99.151 flat angles C4'-P-C4' energy: -94.491 flat angles P-C4'-P energy: -43.005 tors. eta vs tors. theta energy: 20.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2128.741842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.741842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.741842 (E_RNA) where: Base-Base interactions energy: -1493.659 where: short stacking energy: -622.281 Base-Backbone interact. energy: -4.023 local terms energy: -631.059120 where: bonds (distance) C4'-P energy: -120.915 bonds (distance) P-C4' energy: -107.577 flat angles C4'-P-C4' energy: -128.436 flat angles P-C4'-P energy: -92.400 tors. eta vs tors. theta energy: -181.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2096.860040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.860040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.860040 (E_RNA) where: Base-Base interactions energy: -1462.445 where: short stacking energy: -591.991 Base-Backbone interact. energy: 0.534 local terms energy: -634.948499 where: bonds (distance) C4'-P energy: -115.232 bonds (distance) P-C4' energy: -121.918 flat angles C4'-P-C4' energy: -131.186 flat angles P-C4'-P energy: -94.412 tors. eta vs tors. theta energy: -172.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1935.743984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.743984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.743984 (E_RNA) where: Base-Base interactions energy: -1333.990 where: short stacking energy: -564.782 Base-Backbone interact. energy: -0.360 local terms energy: -601.394370 where: bonds (distance) C4'-P energy: -105.636 bonds (distance) P-C4' energy: -117.917 flat angles C4'-P-C4' energy: -129.663 flat angles P-C4'-P energy: -80.176 tors. eta vs tors. theta energy: -168.002 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: 3 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1767.678230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.678230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.678230 (E_RNA) where: Base-Base interactions energy: -1188.649 where: short stacking energy: -489.698 Base-Backbone interact. energy: 2.110 local terms energy: -581.139541 where: bonds (distance) C4'-P energy: -118.427 bonds (distance) P-C4' energy: -123.792 flat angles C4'-P-C4' energy: -120.740 flat angles P-C4'-P energy: -74.407 tors. eta vs tors. theta energy: -143.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1589.263175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.263175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.263175 (E_RNA) where: Base-Base interactions energy: -1047.542 where: short stacking energy: -459.019 Base-Backbone interact. energy: 0.447 local terms energy: -542.168700 where: bonds (distance) C4'-P energy: -119.404 bonds (distance) P-C4' energy: -105.999 flat angles C4'-P-C4' energy: -111.053 flat angles P-C4'-P energy: -83.529 tors. eta vs tors. theta energy: -122.184 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: 229 Temperature: 1.150000 Total energy: -1423.232180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.232180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.232180 (E_RNA) where: Base-Base interactions energy: -916.456 where: short stacking energy: -402.134 Base-Backbone interact. energy: -1.060 local terms energy: -505.716047 where: bonds (distance) C4'-P energy: -109.308 bonds (distance) P-C4' energy: -105.199 flat angles C4'-P-C4' energy: -120.191 flat angles P-C4'-P energy: -74.905 tors. eta vs tors. theta energy: -96.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1167.337984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.337984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.337984 (E_RNA) where: Base-Base interactions energy: -708.692 where: short stacking energy: -328.319 Base-Backbone interact. energy: -1.882 local terms energy: -456.764725 where: bonds (distance) C4'-P energy: -108.551 bonds (distance) P-C4' energy: -120.763 flat angles C4'-P-C4' energy: -113.177 flat angles P-C4'-P energy: -48.357 tors. eta vs tors. theta energy: -65.916 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: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -880.132426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.132426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.132426 (E_RNA) where: Base-Base interactions energy: -475.103 where: short stacking energy: -276.222 Base-Backbone interact. energy: -2.521 local terms energy: -402.508660 where: bonds (distance) C4'-P energy: -92.351 bonds (distance) P-C4' energy: -114.775 flat angles C4'-P-C4' energy: -87.906 flat angles P-C4'-P energy: -63.813 tors. eta vs tors. theta energy: -43.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -659.427421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.427421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.427421 (E_RNA) where: Base-Base interactions energy: -331.610 where: short stacking energy: -178.987 Base-Backbone interact. energy: 3.079 local terms energy: -330.896209 where: bonds (distance) C4'-P energy: -101.659 bonds (distance) P-C4' energy: -104.562 flat angles C4'-P-C4' energy: -78.478 flat angles P-C4'-P energy: -61.026 tors. eta vs tors. theta energy: 14.829 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: 9 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -499.260974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.260974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.260974 (E_RNA) where: Base-Base interactions energy: -192.950 where: short stacking energy: -146.761 Base-Backbone interact. energy: 0.972 local terms energy: -307.283130 where: bonds (distance) C4'-P energy: -88.202 bonds (distance) P-C4' energy: -112.977 flat angles C4'-P-C4' energy: -77.439 flat angles P-C4'-P energy: -39.987 tors. eta vs tors. theta energy: 11.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2112.210401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.210401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.210401 (E_RNA) where: Base-Base interactions energy: -1462.022 where: short stacking energy: -573.737 Base-Backbone interact. energy: -3.518 local terms energy: -646.670487 where: bonds (distance) C4'-P energy: -116.440 bonds (distance) P-C4' energy: -122.456 flat angles C4'-P-C4' energy: -143.562 flat angles P-C4'-P energy: -83.628 tors. eta vs tors. theta energy: -180.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2094.044953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.044953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.044953 (E_RNA) where: Base-Base interactions energy: -1453.219 where: short stacking energy: -603.868 Base-Backbone interact. energy: -3.326 local terms energy: -637.500670 where: bonds (distance) C4'-P energy: -121.260 bonds (distance) P-C4' energy: -130.129 flat angles C4'-P-C4' energy: -131.644 flat angles P-C4'-P energy: -88.904 tors. eta vs tors. theta energy: -165.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1956.218931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.218931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.218931 (E_RNA) where: Base-Base interactions energy: -1345.538 where: short stacking energy: -553.159 Base-Backbone interact. energy: -2.942 local terms energy: -607.738472 where: bonds (distance) C4'-P energy: -114.702 bonds (distance) P-C4' energy: -118.672 flat angles C4'-P-C4' energy: -120.623 flat angles P-C4'-P energy: -86.691 tors. eta vs tors. theta energy: -167.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1792.371115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.371115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.371115 (E_RNA) where: Base-Base interactions energy: -1219.282 where: short stacking energy: -503.712 Base-Backbone interact. energy: -2.165 local terms energy: -570.924524 where: bonds (distance) C4'-P energy: -109.103 bonds (distance) P-C4' energy: -121.100 flat angles C4'-P-C4' energy: -117.683 flat angles P-C4'-P energy: -72.030 tors. eta vs tors. theta energy: -151.009 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: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1624.285430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.285430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.285430 (E_RNA) where: Base-Base interactions energy: -1059.219 where: short stacking energy: -452.231 Base-Backbone interact. energy: -3.559 local terms energy: -561.506750 where: bonds (distance) C4'-P energy: -118.703 bonds (distance) P-C4' energy: -115.776 flat angles C4'-P-C4' energy: -119.354 flat angles P-C4'-P energy: -74.831 tors. eta vs tors. theta energy: -132.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1411.576436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.576436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.576436 (E_RNA) where: Base-Base interactions energy: -906.719 where: short stacking energy: -416.010 Base-Backbone interact. energy: 2.853 local terms energy: -507.709654 where: bonds (distance) C4'-P energy: -99.094 bonds (distance) P-C4' energy: -112.463 flat angles C4'-P-C4' energy: -103.617 flat angles P-C4'-P energy: -72.740 tors. eta vs tors. theta energy: -119.796 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: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1129.879363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.879363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.879363 (E_RNA) where: Base-Base interactions energy: -659.003 where: short stacking energy: -329.383 Base-Backbone interact. energy: -2.263 local terms energy: -468.613386 where: bonds (distance) C4'-P energy: -103.565 bonds (distance) P-C4' energy: -115.566 flat angles C4'-P-C4' energy: -104.307 flat angles P-C4'-P energy: -67.393 tors. eta vs tors. theta energy: -77.782 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: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -919.634541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.634541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.634541 (E_RNA) where: Base-Base interactions energy: -535.697 where: short stacking energy: -260.155 Base-Backbone interact. energy: -2.475 local terms energy: -381.462034 where: bonds (distance) C4'-P energy: -100.339 bonds (distance) P-C4' energy: -98.063 flat angles C4'-P-C4' energy: -88.717 flat angles P-C4'-P energy: -65.520 tors. eta vs tors. theta energy: -28.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -620.349120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.349120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.349120 (E_RNA) where: Base-Base interactions energy: -289.274 where: short stacking energy: -184.940 Base-Backbone interact. energy: 2.747 local terms energy: -333.821957 where: bonds (distance) C4'-P energy: -106.457 bonds (distance) P-C4' energy: -90.103 flat angles C4'-P-C4' energy: -79.584 flat angles P-C4'-P energy: -50.838 tors. eta vs tors. theta energy: -6.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -467.610712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.610712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.610712 (E_RNA) where: Base-Base interactions energy: -147.694 where: short stacking energy: -126.151 Base-Backbone interact. energy: 6.013 local terms energy: -325.929592 where: bonds (distance) C4'-P energy: -106.090 bonds (distance) P-C4' energy: -110.549 flat angles C4'-P-C4' energy: -94.423 flat angles P-C4'-P energy: -35.954 tors. eta vs tors. theta energy: 21.087 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: 7 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2104.809605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.809605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.809605 (E_RNA) where: Base-Base interactions energy: -1443.544 where: short stacking energy: -586.558 Base-Backbone interact. energy: -1.462 local terms energy: -659.804553 where: bonds (distance) C4'-P energy: -116.509 bonds (distance) P-C4' energy: -126.451 flat angles C4'-P-C4' energy: -133.232 flat angles P-C4'-P energy: -89.203 tors. eta vs tors. theta energy: -194.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2072.591130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.591130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.591130 (E_RNA) where: Base-Base interactions energy: -1417.284 where: short stacking energy: -593.806 Base-Backbone interact. energy: -0.484 local terms energy: -654.823093 where: bonds (distance) C4'-P energy: -112.997 bonds (distance) P-C4' energy: -125.546 flat angles C4'-P-C4' energy: -142.846 flat angles P-C4'-P energy: -93.381 tors. eta vs tors. theta energy: -180.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1937.154927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.154927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.154927 (E_RNA) where: Base-Base interactions energy: -1314.034 where: short stacking energy: -556.257 Base-Backbone interact. energy: -6.746 local terms energy: -616.375038 where: bonds (distance) C4'-P energy: -113.135 bonds (distance) P-C4' energy: -112.093 flat angles C4'-P-C4' energy: -126.106 flat angles P-C4'-P energy: -90.332 tors. eta vs tors. theta energy: -174.709 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: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1785.913565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.913565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.913565 (E_RNA) where: Base-Base interactions energy: -1207.972 where: short stacking energy: -508.039 Base-Backbone interact. energy: -1.528 local terms energy: -576.413378 where: bonds (distance) C4'-P energy: -101.614 bonds (distance) P-C4' energy: -111.206 flat angles C4'-P-C4' energy: -137.337 flat angles P-C4'-P energy: -76.142 tors. eta vs tors. theta energy: -150.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1598.350378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.350378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.350378 (E_RNA) where: Base-Base interactions energy: -1055.414 where: short stacking energy: -476.208 Base-Backbone interact. energy: 3.658 local terms energy: -546.594339 where: bonds (distance) C4'-P energy: -95.851 bonds (distance) P-C4' energy: -127.381 flat angles C4'-P-C4' energy: -111.032 flat angles P-C4'-P energy: -81.677 tors. eta vs tors. theta energy: -130.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1369.028413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.028413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.028413 (E_RNA) where: Base-Base interactions energy: -841.858 where: short stacking energy: -382.384 Base-Backbone interact. energy: -1.142 local terms energy: -526.028813 where: bonds (distance) C4'-P energy: -122.991 bonds (distance) P-C4' energy: -104.304 flat angles C4'-P-C4' energy: -126.031 flat angles P-C4'-P energy: -71.932 tors. eta vs tors. theta energy: -100.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1182.323795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.323795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.323795 (E_RNA) where: Base-Base interactions energy: -711.656 where: short stacking energy: -322.662 Base-Backbone interact. energy: 7.421 local terms energy: -478.088289 where: bonds (distance) C4'-P energy: -91.631 bonds (distance) P-C4' energy: -115.222 flat angles C4'-P-C4' energy: -117.190 flat angles P-C4'-P energy: -68.427 tors. eta vs tors. theta energy: -85.618 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: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -910.040977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.040977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.040977 (E_RNA) where: Base-Base interactions energy: -532.599 where: short stacking energy: -269.945 Base-Backbone interact. energy: 7.994 local terms energy: -385.436386 where: bonds (distance) C4'-P energy: -87.689 bonds (distance) P-C4' energy: -87.694 flat angles C4'-P-C4' energy: -105.220 flat angles P-C4'-P energy: -68.206 tors. eta vs tors. theta energy: -36.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -642.738124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.738124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.738124 (E_RNA) where: Base-Base interactions energy: -273.329 where: short stacking energy: -173.102 Base-Backbone interact. energy: 4.144 local terms energy: -373.553266 where: bonds (distance) C4'-P energy: -100.908 bonds (distance) P-C4' energy: -114.803 flat angles C4'-P-C4' energy: -105.551 flat angles P-C4'-P energy: -39.468 tors. eta vs tors. theta energy: -12.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -493.405596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.405596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.405596 (E_RNA) where: Base-Base interactions energy: -175.533 where: short stacking energy: -117.091 Base-Backbone interact. energy: 0.857 local terms energy: -318.729032 where: bonds (distance) C4'-P energy: -81.403 bonds (distance) P-C4' energy: -107.365 flat angles C4'-P-C4' energy: -87.980 flat angles P-C4'-P energy: -54.130 tors. eta vs tors. theta energy: 12.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2106.193904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.193904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.193904 (E_RNA) where: Base-Base interactions energy: -1445.593 where: short stacking energy: -595.841 Base-Backbone interact. energy: -3.216 local terms energy: -657.385241 where: bonds (distance) C4'-P energy: -129.546 bonds (distance) P-C4' energy: -127.396 flat angles C4'-P-C4' energy: -125.424 flat angles P-C4'-P energy: -105.491 tors. eta vs tors. theta energy: -169.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2090.710205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.710205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.710205 (E_RNA) where: Base-Base interactions energy: -1467.513 where: short stacking energy: -588.224 Base-Backbone interact. energy: -1.919 local terms energy: -621.278575 where: bonds (distance) C4'-P energy: -118.623 bonds (distance) P-C4' energy: -105.259 flat angles C4'-P-C4' energy: -130.140 flat angles P-C4'-P energy: -82.233 tors. eta vs tors. theta energy: -185.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1963.025037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.025037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.025037 (E_RNA) where: Base-Base interactions energy: -1353.781 where: short stacking energy: -563.992 Base-Backbone interact. energy: -0.633 local terms energy: -608.611723 where: bonds (distance) C4'-P energy: -111.127 bonds (distance) P-C4' energy: -118.531 flat angles C4'-P-C4' energy: -137.401 flat angles P-C4'-P energy: -86.852 tors. eta vs tors. theta energy: -154.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1789.682345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.682345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.682345 (E_RNA) where: Base-Base interactions energy: -1197.983 where: short stacking energy: -511.954 Base-Backbone interact. energy: -3.053 local terms energy: -588.646793 where: bonds (distance) C4'-P energy: -118.317 bonds (distance) P-C4' energy: -114.985 flat angles C4'-P-C4' energy: -118.647 flat angles P-C4'-P energy: -78.352 tors. eta vs tors. theta energy: -158.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1584.547782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.547782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.547782 (E_RNA) where: Base-Base interactions energy: -1039.874 where: short stacking energy: -461.903 Base-Backbone interact. energy: -1.883 local terms energy: -542.791058 where: bonds (distance) C4'-P energy: -100.381 bonds (distance) P-C4' energy: -109.364 flat angles C4'-P-C4' energy: -122.846 flat angles P-C4'-P energy: -71.795 tors. eta vs tors. theta energy: -138.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1379.075562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.075562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.075562 (E_RNA) where: Base-Base interactions energy: -845.620 where: short stacking energy: -393.442 Base-Backbone interact. energy: -3.653 local terms energy: -529.802848 where: bonds (distance) C4'-P energy: -117.719 bonds (distance) P-C4' energy: -117.101 flat angles C4'-P-C4' energy: -122.866 flat angles P-C4'-P energy: -74.274 tors. eta vs tors. theta energy: -97.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1162.952387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.952387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.952387 (E_RNA) where: Base-Base interactions energy: -719.526 where: short stacking energy: -318.038 Base-Backbone interact. energy: -2.057 local terms energy: -441.369890 where: bonds (distance) C4'-P energy: -98.537 bonds (distance) P-C4' energy: -116.861 flat angles C4'-P-C4' energy: -99.917 flat angles P-C4'-P energy: -63.991 tors. eta vs tors. theta energy: -62.063 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: 6 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -897.721858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.721858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.721858 (E_RNA) where: Base-Base interactions energy: -489.170 where: short stacking energy: -259.540 Base-Backbone interact. energy: 0.730 local terms energy: -409.281733 where: bonds (distance) C4'-P energy: -103.591 bonds (distance) P-C4' energy: -109.943 flat angles C4'-P-C4' energy: -98.600 flat angles P-C4'-P energy: -54.139 tors. eta vs tors. theta energy: -43.008 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: 8 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -625.407853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.407853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.407853 (E_RNA) where: Base-Base interactions energy: -304.906 where: short stacking energy: -213.053 Base-Backbone interact. energy: -1.316 local terms energy: -319.185658 where: bonds (distance) C4'-P energy: -90.867 bonds (distance) P-C4' energy: -97.218 flat angles C4'-P-C4' energy: -93.445 flat angles P-C4'-P energy: -41.364 tors. eta vs tors. theta energy: 3.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -533.006709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.006709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.006709 (E_RNA) where: Base-Base interactions energy: -220.817 where: short stacking energy: -155.542 Base-Backbone interact. energy: 8.828 local terms energy: -321.018355 where: bonds (distance) C4'-P energy: -99.539 bonds (distance) P-C4' energy: -108.206 flat angles C4'-P-C4' energy: -76.486 flat angles P-C4'-P energy: -66.224 tors. eta vs tors. theta energy: 29.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2095.062847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.062847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.062847 (E_RNA) where: Base-Base interactions energy: -1465.046 where: short stacking energy: -595.003 Base-Backbone interact. energy: -3.419 local terms energy: -626.597929 where: bonds (distance) C4'-P energy: -99.682 bonds (distance) P-C4' energy: -121.354 flat angles C4'-P-C4' energy: -138.735 flat angles P-C4'-P energy: -83.760 tors. eta vs tors. theta energy: -183.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2030.598982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.598982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.598982 (E_RNA) where: Base-Base interactions energy: -1403.793 where: short stacking energy: -567.060 Base-Backbone interact. energy: -2.543 local terms energy: -624.262574 where: bonds (distance) C4'-P energy: -114.537 bonds (distance) P-C4' energy: -123.363 flat angles C4'-P-C4' energy: -123.561 flat angles P-C4'-P energy: -88.186 tors. eta vs tors. theta energy: -174.616 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: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1956.001793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.001793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.001793 (E_RNA) where: Base-Base interactions energy: -1335.011 where: short stacking energy: -553.008 Base-Backbone interact. energy: -1.686 local terms energy: -619.305529 where: bonds (distance) C4'-P energy: -103.368 bonds (distance) P-C4' energy: -131.346 flat angles C4'-P-C4' energy: -132.133 flat angles P-C4'-P energy: -88.532 tors. eta vs tors. theta energy: -163.927 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: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1838.032788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.032788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.032788 (E_RNA) where: Base-Base interactions energy: -1235.060 where: short stacking energy: -500.112 Base-Backbone interact. energy: -5.020 local terms energy: -597.952510 where: bonds (distance) C4'-P energy: -116.199 bonds (distance) P-C4' energy: -121.139 flat angles C4'-P-C4' energy: -121.070 flat angles P-C4'-P energy: -88.701 tors. eta vs tors. theta energy: -150.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1559.318483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.318483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.318483 (E_RNA) where: Base-Base interactions energy: -998.943 where: short stacking energy: -466.458 Base-Backbone interact. energy: 0.035 local terms energy: -560.410990 where: bonds (distance) C4'-P energy: -112.793 bonds (distance) P-C4' energy: -129.826 flat angles C4'-P-C4' energy: -120.383 flat angles P-C4'-P energy: -64.281 tors. eta vs tors. theta energy: -133.128 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: 4 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1404.348094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.348094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.348094 (E_RNA) where: Base-Base interactions energy: -895.499 where: short stacking energy: -402.452 Base-Backbone interact. energy: -0.966 local terms energy: -507.883263 where: bonds (distance) C4'-P energy: -100.279 bonds (distance) P-C4' energy: -100.972 flat angles C4'-P-C4' energy: -119.774 flat angles P-C4'-P energy: -75.128 tors. eta vs tors. theta energy: -111.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1143.416693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.416693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.416693 (E_RNA) where: Base-Base interactions energy: -720.845 where: short stacking energy: -328.868 Base-Backbone interact. energy: 1.007 local terms energy: -423.578430 where: bonds (distance) C4'-P energy: -96.702 bonds (distance) P-C4' energy: -91.427 flat angles C4'-P-C4' energy: -109.878 flat angles P-C4'-P energy: -57.900 tors. eta vs tors. theta energy: -67.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -828.752035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.752035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.752035 (E_RNA) where: Base-Base interactions energy: -416.476 where: short stacking energy: -208.817 Base-Backbone interact. energy: 0.098 local terms energy: -412.374147 where: bonds (distance) C4'-P energy: -109.802 bonds (distance) P-C4' energy: -107.621 flat angles C4'-P-C4' energy: -115.692 flat angles P-C4'-P energy: -59.276 tors. eta vs tors. theta energy: -19.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -625.493371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.493371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.493371 (E_RNA) where: Base-Base interactions energy: -300.117 where: short stacking energy: -159.067 Base-Backbone interact. energy: 0.875 local terms energy: -326.251291 where: bonds (distance) C4'-P energy: -111.673 bonds (distance) P-C4' energy: -99.535 flat angles C4'-P-C4' energy: -79.763 flat angles P-C4'-P energy: -46.113 tors. eta vs tors. theta energy: 10.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -474.700048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.700048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.700048 (E_RNA) where: Base-Base interactions energy: -165.264 where: short stacking energy: -126.871 Base-Backbone interact. energy: -2.550 local terms energy: -306.886689 where: bonds (distance) C4'-P energy: -95.707 bonds (distance) P-C4' energy: -83.499 flat angles C4'-P-C4' energy: -90.554 flat angles P-C4'-P energy: -39.236 tors. eta vs tors. theta energy: 2.110 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: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2145.586767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.586767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.586767 (E_RNA) where: Base-Base interactions energy: -1498.513 where: short stacking energy: -600.610 Base-Backbone interact. energy: -3.376 local terms energy: -643.698372 where: bonds (distance) C4'-P energy: -135.052 bonds (distance) P-C4' energy: -100.806 flat angles C4'-P-C4' energy: -132.050 flat angles P-C4'-P energy: -93.698 tors. eta vs tors. theta energy: -182.092 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: 234 Temperature: 0.950000 Total energy: -2065.780289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.780289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.780289 (E_RNA) where: Base-Base interactions energy: -1420.133 where: short stacking energy: -590.977 Base-Backbone interact. energy: -1.798 local terms energy: -643.849714 where: bonds (distance) C4'-P energy: -129.457 bonds (distance) P-C4' energy: -120.400 flat angles C4'-P-C4' energy: -126.431 flat angles P-C4'-P energy: -89.878 tors. eta vs tors. theta energy: -177.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1976.729698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.729698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.729698 (E_RNA) where: Base-Base interactions energy: -1356.424 where: short stacking energy: -585.355 Base-Backbone interact. energy: -0.669 local terms energy: -619.636397 where: bonds (distance) C4'-P energy: -107.358 bonds (distance) P-C4' energy: -121.522 flat angles C4'-P-C4' energy: -139.172 flat angles P-C4'-P energy: -86.281 tors. eta vs tors. theta energy: -165.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1848.530454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.530454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.530454 (E_RNA) where: Base-Base interactions energy: -1243.186 where: short stacking energy: -528.890 Base-Backbone interact. energy: -2.710 local terms energy: -602.635315 where: bonds (distance) C4'-P energy: -116.757 bonds (distance) P-C4' energy: -108.754 flat angles C4'-P-C4' energy: -127.530 flat angles P-C4'-P energy: -91.504 tors. eta vs tors. theta energy: -158.090 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: 5, replica: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1606.316107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.316107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.316107 (E_RNA) where: Base-Base interactions energy: -1064.027 where: short stacking energy: -479.302 Base-Backbone interact. energy: -0.899 local terms energy: -541.389540 where: bonds (distance) C4'-P energy: -98.883 bonds (distance) P-C4' energy: -106.767 flat angles C4'-P-C4' energy: -111.072 flat angles P-C4'-P energy: -82.786 tors. eta vs tors. theta energy: -141.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1422.342456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.342456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.342456 (E_RNA) where: Base-Base interactions energy: -942.693 where: short stacking energy: -403.547 Base-Backbone interact. energy: 6.294 local terms energy: -485.942852 where: bonds (distance) C4'-P energy: -105.289 bonds (distance) P-C4' energy: -89.849 flat angles C4'-P-C4' energy: -108.449 flat angles P-C4'-P energy: -75.992 tors. eta vs tors. theta energy: -106.364 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: 10 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1124.422287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.422287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.422287 (E_RNA) where: Base-Base interactions energy: -704.714 where: short stacking energy: -310.588 Base-Backbone interact. energy: -0.677 local terms energy: -419.031109 where: bonds (distance) C4'-P energy: -94.692 bonds (distance) P-C4' energy: -102.201 flat angles C4'-P-C4' energy: -101.454 flat angles P-C4'-P energy: -65.194 tors. eta vs tors. theta energy: -55.489 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: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -828.959614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.959614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.959614 (E_RNA) where: Base-Base interactions energy: -445.240 where: short stacking energy: -227.753 Base-Backbone interact. energy: 2.359 local terms energy: -386.078032 where: bonds (distance) C4'-P energy: -103.446 bonds (distance) P-C4' energy: -100.341 flat angles C4'-P-C4' energy: -89.005 flat angles P-C4'-P energy: -61.266 tors. eta vs tors. theta energy: -32.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -597.912401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.912401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.912401 (E_RNA) where: Base-Base interactions energy: -250.918 where: short stacking energy: -166.485 Base-Backbone interact. energy: -2.493 local terms energy: -344.500930 where: bonds (distance) C4'-P energy: -109.795 bonds (distance) P-C4' energy: -111.616 flat angles C4'-P-C4' energy: -99.401 flat angles P-C4'-P energy: -37.653 tors. eta vs tors. theta energy: 13.964 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: 9 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -497.587204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.587204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.587204 (E_RNA) where: Base-Base interactions energy: -147.386 where: short stacking energy: -125.712 Base-Backbone interact. energy: -0.471 local terms energy: -349.729837 where: bonds (distance) C4'-P energy: -92.722 bonds (distance) P-C4' energy: -115.249 flat angles C4'-P-C4' energy: -98.915 flat angles P-C4'-P energy: -57.069 tors. eta vs tors. theta energy: 14.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2153.013889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.013889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.013889 (E_RNA) where: Base-Base interactions energy: -1478.133 where: short stacking energy: -605.901 Base-Backbone interact. energy: -4.185 local terms energy: -670.696347 where: bonds (distance) C4'-P energy: -125.827 bonds (distance) P-C4' energy: -120.930 flat angles C4'-P-C4' energy: -144.888 flat angles P-C4'-P energy: -95.640 tors. eta vs tors. theta energy: -183.411 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: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2057.047422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.047422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.047422 (E_RNA) where: Base-Base interactions energy: -1396.170 where: short stacking energy: -577.471 Base-Backbone interact. energy: -0.809 local terms energy: -660.068618 where: bonds (distance) C4'-P energy: -121.675 bonds (distance) P-C4' energy: -127.574 flat angles C4'-P-C4' energy: -137.827 flat angles P-C4'-P energy: -94.362 tors. eta vs tors. theta energy: -178.630 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: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1944.513806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.513806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.513806 (E_RNA) where: Base-Base interactions energy: -1325.075 where: short stacking energy: -576.307 Base-Backbone interact. energy: -0.973 local terms energy: -618.465904 where: bonds (distance) C4'-P energy: -123.464 bonds (distance) P-C4' energy: -113.110 flat angles C4'-P-C4' energy: -131.230 flat angles P-C4'-P energy: -78.681 tors. eta vs tors. theta energy: -171.981 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: 235 Temperature: 1.050000 Total energy: -1771.299764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.299764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.299764 (E_RNA) where: Base-Base interactions energy: -1186.942 where: short stacking energy: -505.351 Base-Backbone interact. energy: -1.067 local terms energy: -583.290626 where: bonds (distance) C4'-P energy: -117.180 bonds (distance) P-C4' energy: -127.975 flat angles C4'-P-C4' energy: -118.496 flat angles P-C4'-P energy: -68.963 tors. eta vs tors. theta energy: -150.678 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: 235 Temperature: 1.100000 Total energy: -1567.564464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.564464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.564464 (E_RNA) where: Base-Base interactions energy: -1016.009 where: short stacking energy: -454.695 Base-Backbone interact. energy: -2.902 local terms energy: -548.653676 where: bonds (distance) C4'-P energy: -114.641 bonds (distance) P-C4' energy: -117.750 flat angles C4'-P-C4' energy: -108.922 flat angles P-C4'-P energy: -68.668 tors. eta vs tors. theta energy: -138.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1384.645616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.645616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.645616 (E_RNA) where: Base-Base interactions energy: -868.461 where: short stacking energy: -409.436 Base-Backbone interact. energy: -2.019 local terms energy: -514.165712 where: bonds (distance) C4'-P energy: -102.304 bonds (distance) P-C4' energy: -123.505 flat angles C4'-P-C4' energy: -131.031 flat angles P-C4'-P energy: -56.399 tors. eta vs tors. theta energy: -100.927 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: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1175.025453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.025453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.025453 (E_RNA) where: Base-Base interactions energy: -732.566 where: short stacking energy: -331.226 Base-Backbone interact. energy: 1.915 local terms energy: -444.373778 where: bonds (distance) C4'-P energy: -101.215 bonds (distance) P-C4' energy: -110.373 flat angles C4'-P-C4' energy: -104.084 flat angles P-C4'-P energy: -62.867 tors. eta vs tors. theta energy: -65.834 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: 6 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -820.916303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.916303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.916303 (E_RNA) where: Base-Base interactions energy: -444.210 where: short stacking energy: -242.509 Base-Backbone interact. energy: 0.757 local terms energy: -377.463024 where: bonds (distance) C4'-P energy: -105.051 bonds (distance) P-C4' energy: -96.256 flat angles C4'-P-C4' energy: -104.113 flat angles P-C4'-P energy: -59.460 tors. eta vs tors. theta energy: -12.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -636.106376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.106376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.106376 (E_RNA) where: Base-Base interactions energy: -306.895 where: short stacking energy: -178.646 Base-Backbone interact. energy: 0.116 local terms energy: -329.327351 where: bonds (distance) C4'-P energy: -80.331 bonds (distance) P-C4' energy: -111.258 flat angles C4'-P-C4' energy: -83.106 flat angles P-C4'-P energy: -66.772 tors. eta vs tors. theta energy: 12.140 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: 10, replica: 9 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -478.155537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.155537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.155537 (E_RNA) where: Base-Base interactions energy: -175.972 where: short stacking energy: -120.542 Base-Backbone interact. energy: 0.891 local terms energy: -303.075084 where: bonds (distance) C4'-P energy: -97.090 bonds (distance) P-C4' energy: -87.281 flat angles C4'-P-C4' energy: -89.221 flat angles P-C4'-P energy: -53.038 tors. eta vs tors. theta energy: 23.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2129.974490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.974490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.974490 (E_RNA) where: Base-Base interactions energy: -1467.373 where: short stacking energy: -593.881 Base-Backbone interact. energy: -4.336 local terms energy: -658.266186 where: bonds (distance) C4'-P energy: -118.854 bonds (distance) P-C4' energy: -131.553 flat angles C4'-P-C4' energy: -132.027 flat angles P-C4'-P energy: -99.956 tors. eta vs tors. theta energy: -175.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2055.504831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.504831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.504831 (E_RNA) where: Base-Base interactions energy: -1410.580 where: short stacking energy: -605.007 Base-Backbone interact. energy: -4.613 local terms energy: -640.311308 where: bonds (distance) C4'-P energy: -110.409 bonds (distance) P-C4' energy: -134.268 flat angles C4'-P-C4' energy: -135.977 flat angles P-C4'-P energy: -85.873 tors. eta vs tors. theta energy: -173.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1926.694671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.694671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.694671 (E_RNA) where: Base-Base interactions energy: -1335.971 where: short stacking energy: -523.684 Base-Backbone interact. energy: -0.466 local terms energy: -590.257758 where: bonds (distance) C4'-P energy: -99.923 bonds (distance) P-C4' energy: -117.915 flat angles C4'-P-C4' energy: -140.482 flat angles P-C4'-P energy: -93.214 tors. eta vs tors. theta energy: -138.724 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: 3 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1811.315747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.315747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.315747 (E_RNA) where: Base-Base interactions energy: -1199.389 where: short stacking energy: -545.316 Base-Backbone interact. energy: 0.067 local terms energy: -611.993902 where: bonds (distance) C4'-P energy: -107.538 bonds (distance) P-C4' energy: -134.260 flat angles C4'-P-C4' energy: -126.332 flat angles P-C4'-P energy: -78.629 tors. eta vs tors. theta energy: -165.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1596.419510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.419510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.419510 (E_RNA) where: Base-Base interactions energy: -1048.645 where: short stacking energy: -468.310 Base-Backbone interact. energy: -2.838 local terms energy: -544.935926 where: bonds (distance) C4'-P energy: -103.762 bonds (distance) P-C4' energy: -102.554 flat angles C4'-P-C4' energy: -126.206 flat angles P-C4'-P energy: -72.335 tors. eta vs tors. theta energy: -140.079 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: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1382.583344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.583344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.583344 (E_RNA) where: Base-Base interactions energy: -884.884 where: short stacking energy: -404.145 Base-Backbone interact. energy: -0.703 local terms energy: -496.996216 where: bonds (distance) C4'-P energy: -99.808 bonds (distance) P-C4' energy: -111.703 flat angles C4'-P-C4' energy: -113.018 flat angles P-C4'-P energy: -68.120 tors. eta vs tors. theta energy: -104.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1183.581870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.581870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.581870 (E_RNA) where: Base-Base interactions energy: -755.442 where: short stacking energy: -337.563 Base-Backbone interact. energy: 0.752 local terms energy: -428.891970 where: bonds (distance) C4'-P energy: -91.264 bonds (distance) P-C4' energy: -116.562 flat angles C4'-P-C4' energy: -90.735 flat angles P-C4'-P energy: -62.736 tors. eta vs tors. theta energy: -67.595 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: 8, replica: 6 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -897.897804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.897804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.897804 (E_RNA) where: Base-Base interactions energy: -494.331 where: short stacking energy: -247.898 Base-Backbone interact. energy: 1.057 local terms energy: -404.623561 where: bonds (distance) C4'-P energy: -97.107 bonds (distance) P-C4' energy: -95.199 flat angles C4'-P-C4' energy: -120.824 flat angles P-C4'-P energy: -60.744 tors. eta vs tors. theta energy: -30.750 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: 9, replica: 8 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -630.521215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.521215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.521215 (E_RNA) where: Base-Base interactions energy: -303.503 where: short stacking energy: -213.114 Base-Backbone interact. energy: 3.938 local terms energy: -330.955958 where: bonds (distance) C4'-P energy: -96.592 bonds (distance) P-C4' energy: -79.075 flat angles C4'-P-C4' energy: -92.497 flat angles P-C4'-P energy: -52.476 tors. eta vs tors. theta energy: -10.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -479.125749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.125749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.125749 (E_RNA) where: Base-Base interactions energy: -179.169 where: short stacking energy: -141.474 Base-Backbone interact. energy: 4.882 local terms energy: -304.838663 where: bonds (distance) C4'-P energy: -99.186 bonds (distance) P-C4' energy: -90.408 flat angles C4'-P-C4' energy: -94.196 flat angles P-C4'-P energy: -51.714 tors. eta vs tors. theta energy: 30.665 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: 1 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2133.775480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.775480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.775480 (E_RNA) where: Base-Base interactions energy: -1468.363 where: short stacking energy: -612.050 Base-Backbone interact. energy: 0.238 local terms energy: -665.651302 where: bonds (distance) C4'-P energy: -118.646 bonds (distance) P-C4' energy: -126.851 flat angles C4'-P-C4' energy: -137.834 flat angles P-C4'-P energy: -99.436 tors. eta vs tors. theta energy: -182.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2084.265990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.265990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.265990 (E_RNA) where: Base-Base interactions energy: -1419.541 where: short stacking energy: -596.353 Base-Backbone interact. energy: -4.173 local terms energy: -660.552145 where: bonds (distance) C4'-P energy: -126.211 bonds (distance) P-C4' energy: -117.094 flat angles C4'-P-C4' energy: -141.036 flat angles P-C4'-P energy: -90.207 tors. eta vs tors. theta energy: -186.003 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: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1920.633206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.633206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.633206 (E_RNA) where: Base-Base interactions energy: -1291.684 where: short stacking energy: -546.394 Base-Backbone interact. energy: -1.911 local terms energy: -627.039084 where: bonds (distance) C4'-P energy: -126.518 bonds (distance) P-C4' energy: -101.338 flat angles C4'-P-C4' energy: -135.513 flat angles P-C4'-P energy: -93.348 tors. eta vs tors. theta energy: -170.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1788.232920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.232920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.232920 (E_RNA) where: Base-Base interactions energy: -1155.070 where: short stacking energy: -520.545 Base-Backbone interact. energy: -0.627 local terms energy: -632.535926 where: bonds (distance) C4'-P energy: -106.550 bonds (distance) P-C4' energy: -121.904 flat angles C4'-P-C4' energy: -138.570 flat angles P-C4'-P energy: -96.884 tors. eta vs tors. theta energy: -168.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1613.638266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.638266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.638266 (E_RNA) where: Base-Base interactions energy: -1031.570 where: short stacking energy: -467.866 Base-Backbone interact. energy: 1.223 local terms energy: -583.290887 where: bonds (distance) C4'-P energy: -111.672 bonds (distance) P-C4' energy: -100.203 flat angles C4'-P-C4' energy: -127.640 flat angles P-C4'-P energy: -94.766 tors. eta vs tors. theta energy: -149.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1462.144096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.144096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.144096 (E_RNA) where: Base-Base interactions energy: -969.333 where: short stacking energy: -428.329 Base-Backbone interact. energy: -1.164 local terms energy: -491.646702 where: bonds (distance) C4'-P energy: -94.862 bonds (distance) P-C4' energy: -109.989 flat angles C4'-P-C4' energy: -112.198 flat angles P-C4'-P energy: -59.643 tors. eta vs tors. theta energy: -114.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1216.955990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.955990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.955990 (E_RNA) where: Base-Base interactions energy: -776.602 where: short stacking energy: -335.108 Base-Backbone interact. energy: -1.231 local terms energy: -439.122530 where: bonds (distance) C4'-P energy: -89.561 bonds (distance) P-C4' energy: -96.834 flat angles C4'-P-C4' energy: -111.610 flat angles P-C4'-P energy: -66.510 tors. eta vs tors. theta energy: -74.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -980.672202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.672202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.672202 (E_RNA) where: Base-Base interactions energy: -559.226 where: short stacking energy: -298.154 Base-Backbone interact. energy: 2.147 local terms energy: -423.593676 where: bonds (distance) C4'-P energy: -93.358 bonds (distance) P-C4' energy: -118.610 flat angles C4'-P-C4' energy: -89.906 flat angles P-C4'-P energy: -73.059 tors. eta vs tors. theta energy: -48.661 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: 8 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -586.996869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.996869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.996869 (E_RNA) where: Base-Base interactions energy: -265.581 where: short stacking energy: -138.076 Base-Backbone interact. energy: 4.411 local terms energy: -325.826486 where: bonds (distance) C4'-P energy: -102.055 bonds (distance) P-C4' energy: -105.905 flat angles C4'-P-C4' energy: -89.532 flat angles P-C4'-P energy: -62.430 tors. eta vs tors. theta energy: 34.096 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: 9 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -475.648849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.648849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.648849 (E_RNA) where: Base-Base interactions energy: -149.008 where: short stacking energy: -119.718 Base-Backbone interact. energy: 8.381 local terms energy: -335.022472 where: bonds (distance) C4'-P energy: -104.491 bonds (distance) P-C4' energy: -127.158 flat angles C4'-P-C4' energy: -70.255 flat angles P-C4'-P energy: -53.650 tors. eta vs tors. theta energy: 20.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2149.136745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.136745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.136745 (E_RNA) where: Base-Base interactions energy: -1486.683 where: short stacking energy: -596.920 Base-Backbone interact. energy: -4.302 local terms energy: -658.151458 where: bonds (distance) C4'-P energy: -122.895 bonds (distance) P-C4' energy: -110.337 flat angles C4'-P-C4' energy: -143.519 flat angles P-C4'-P energy: -98.931 tors. eta vs tors. theta energy: -182.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2051.041171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.041171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.041171 (E_RNA) where: Base-Base interactions energy: -1409.241 where: short stacking energy: -569.583 Base-Backbone interact. energy: -2.163 local terms energy: -639.637601 where: bonds (distance) C4'-P energy: -105.748 bonds (distance) P-C4' energy: -113.728 flat angles C4'-P-C4' energy: -147.119 flat angles P-C4'-P energy: -95.073 tors. eta vs tors. theta energy: -177.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1908.900739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.900739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.900739 (E_RNA) where: Base-Base interactions energy: -1293.902 where: short stacking energy: -534.112 Base-Backbone interact. energy: -3.076 local terms energy: -611.922956 where: bonds (distance) C4'-P energy: -124.445 bonds (distance) P-C4' energy: -121.631 flat angles C4'-P-C4' energy: -129.106 flat angles P-C4'-P energy: -68.206 tors. eta vs tors. theta energy: -168.536 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: 4, replica: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1782.986630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.986630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.986630 (E_RNA) where: Base-Base interactions energy: -1207.582 where: short stacking energy: -531.832 Base-Backbone interact. energy: -0.412 local terms energy: -574.992321 where: bonds (distance) C4'-P energy: -110.481 bonds (distance) P-C4' energy: -114.344 flat angles C4'-P-C4' energy: -116.456 flat angles P-C4'-P energy: -84.952 tors. eta vs tors. theta energy: -148.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1639.034675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.034675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.034675 (E_RNA) where: Base-Base interactions energy: -1085.729 where: short stacking energy: -499.346 Base-Backbone interact. energy: -1.079 local terms energy: -552.225900 where: bonds (distance) C4'-P energy: -96.147 bonds (distance) P-C4' energy: -107.606 flat angles C4'-P-C4' energy: -119.990 flat angles P-C4'-P energy: -72.952 tors. eta vs tors. theta energy: -155.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1536.296089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.296089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.296089 (E_RNA) where: Base-Base interactions energy: -1002.566 where: short stacking energy: -442.194 Base-Backbone interact. energy: 1.351 local terms energy: -535.081254 where: bonds (distance) C4'-P energy: -113.146 bonds (distance) P-C4' energy: -100.674 flat angles C4'-P-C4' energy: -110.485 flat angles P-C4'-P energy: -75.153 tors. eta vs tors. theta energy: -135.624 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: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1242.115956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.115956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.115956 (E_RNA) where: Base-Base interactions energy: -802.352 where: short stacking energy: -359.265 Base-Backbone interact. energy: -1.894 local terms energy: -437.869794 where: bonds (distance) C4'-P energy: -89.280 bonds (distance) P-C4' energy: -92.446 flat angles C4'-P-C4' energy: -107.975 flat angles P-C4'-P energy: -76.626 tors. eta vs tors. theta energy: -71.543 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: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -957.076493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.076493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.076493 (E_RNA) where: Base-Base interactions energy: -574.271 where: short stacking energy: -270.870 Base-Backbone interact. energy: -2.894 local terms energy: -379.912177 where: bonds (distance) C4'-P energy: -94.407 bonds (distance) P-C4' energy: -96.758 flat angles C4'-P-C4' energy: -104.893 flat angles P-C4'-P energy: -51.912 tors. eta vs tors. theta energy: -31.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -582.440197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.440197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.440197 (E_RNA) where: Base-Base interactions energy: -251.231 where: short stacking energy: -148.912 Base-Backbone interact. energy: 1.146 local terms energy: -332.355298 where: bonds (distance) C4'-P energy: -96.020 bonds (distance) P-C4' energy: -98.244 flat angles C4'-P-C4' energy: -96.894 flat angles P-C4'-P energy: -50.381 tors. eta vs tors. theta energy: 9.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -462.488108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.488108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.488108 (E_RNA) where: Base-Base interactions energy: -171.738 where: short stacking energy: -149.990 Base-Backbone interact. energy: 2.543 local terms energy: -293.293646 where: bonds (distance) C4'-P energy: -85.567 bonds (distance) P-C4' energy: -94.061 flat angles C4'-P-C4' energy: -83.500 flat angles P-C4'-P energy: -52.290 tors. eta vs tors. theta energy: 22.126 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: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2145.375373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.375373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.375373 (E_RNA) where: Base-Base interactions energy: -1479.531 where: short stacking energy: -597.173 Base-Backbone interact. energy: -1.561 local terms energy: -664.283953 where: bonds (distance) C4'-P energy: -126.207 bonds (distance) P-C4' energy: -123.235 flat angles C4'-P-C4' energy: -139.101 flat angles P-C4'-P energy: -95.397 tors. eta vs tors. theta energy: -180.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2065.098409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.098409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.098409 (E_RNA) where: Base-Base interactions energy: -1418.641 where: short stacking energy: -602.312 Base-Backbone interact. energy: -4.668 local terms energy: -641.789557 where: bonds (distance) C4'-P energy: -103.789 bonds (distance) P-C4' energy: -114.009 flat angles C4'-P-C4' energy: -140.482 flat angles P-C4'-P energy: -91.592 tors. eta vs tors. theta energy: -191.917 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: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1896.277535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.277535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.277535 (E_RNA) where: Base-Base interactions energy: -1282.110 where: short stacking energy: -550.028 Base-Backbone interact. energy: -2.398 local terms energy: -611.768905 where: bonds (distance) C4'-P energy: -109.659 bonds (distance) P-C4' energy: -120.651 flat angles C4'-P-C4' energy: -125.436 flat angles P-C4'-P energy: -85.017 tors. eta vs tors. theta energy: -171.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1816.313215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.313215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.313215 (E_RNA) where: Base-Base interactions energy: -1240.182 where: short stacking energy: -524.274 Base-Backbone interact. energy: 0.468 local terms energy: -576.599801 where: bonds (distance) C4'-P energy: -87.041 bonds (distance) P-C4' energy: -116.085 flat angles C4'-P-C4' energy: -132.095 flat angles P-C4'-P energy: -83.675 tors. eta vs tors. theta energy: -157.703 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: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1649.416189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.416189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.416189 (E_RNA) where: Base-Base interactions energy: -1061.121 where: short stacking energy: -507.132 Base-Backbone interact. energy: 1.916 local terms energy: -590.211411 where: bonds (distance) C4'-P energy: -100.100 bonds (distance) P-C4' energy: -113.228 flat angles C4'-P-C4' energy: -128.334 flat angles P-C4'-P energy: -90.646 tors. eta vs tors. theta energy: -157.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1494.151315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.151315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.151315 (E_RNA) where: Base-Base interactions energy: -952.096 where: short stacking energy: -456.195 Base-Backbone interact. energy: -4.281 local terms energy: -537.774472 where: bonds (distance) C4'-P energy: -113.198 bonds (distance) P-C4' energy: -104.742 flat angles C4'-P-C4' energy: -114.587 flat angles P-C4'-P energy: -81.519 tors. eta vs tors. theta energy: -123.729 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: 10 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1190.638785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.638785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.638785 (E_RNA) where: Base-Base interactions energy: -744.992 where: short stacking energy: -353.778 Base-Backbone interact. energy: -2.987 local terms energy: -442.660270 where: bonds (distance) C4'-P energy: -91.284 bonds (distance) P-C4' energy: -105.570 flat angles C4'-P-C4' energy: -100.765 flat angles P-C4'-P energy: -63.528 tors. eta vs tors. theta energy: -81.513 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: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -861.886390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.886390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.886390 (E_RNA) where: Base-Base interactions energy: -478.590 where: short stacking energy: -226.587 Base-Backbone interact. energy: 2.451 local terms energy: -385.746838 where: bonds (distance) C4'-P energy: -91.067 bonds (distance) P-C4' energy: -111.519 flat angles C4'-P-C4' energy: -104.624 flat angles P-C4'-P energy: -54.947 tors. eta vs tors. theta energy: -23.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -574.502357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.502357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.502357 (E_RNA) where: Base-Base interactions energy: -246.435 where: short stacking energy: -156.872 Base-Backbone interact. energy: -0.737 local terms energy: -327.330258 where: bonds (distance) C4'-P energy: -92.900 bonds (distance) P-C4' energy: -92.302 flat angles C4'-P-C4' energy: -93.155 flat angles P-C4'-P energy: -50.364 tors. eta vs tors. theta energy: 1.391 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: 10, replica: 9 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -484.791288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.791288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.791288 (E_RNA) where: Base-Base interactions energy: -153.629 where: short stacking energy: -109.133 Base-Backbone interact. energy: -0.242 local terms energy: -330.921219 where: bonds (distance) C4'-P energy: -98.168 bonds (distance) P-C4' energy: -111.000 flat angles C4'-P-C4' energy: -79.175 flat angles P-C4'-P energy: -56.717 tors. eta vs tors. theta energy: 14.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2131.853366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.853366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.853366 (E_RNA) where: Base-Base interactions energy: -1495.354 where: short stacking energy: -597.799 Base-Backbone interact. energy: -1.336 local terms energy: -635.162918 where: bonds (distance) C4'-P energy: -129.089 bonds (distance) P-C4' energy: -112.140 flat angles C4'-P-C4' energy: -130.034 flat angles P-C4'-P energy: -81.041 tors. eta vs tors. theta energy: -182.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2054.410802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.410802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.410802 (E_RNA) where: Base-Base interactions energy: -1423.733 where: short stacking energy: -601.488 Base-Backbone interact. energy: -2.370 local terms energy: -628.307890 where: bonds (distance) C4'-P energy: -112.268 bonds (distance) P-C4' energy: -113.756 flat angles C4'-P-C4' energy: -138.520 flat angles P-C4'-P energy: -74.868 tors. eta vs tors. theta energy: -188.895 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: 240 Temperature: 1.000000 Total energy: -1931.031527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.031527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.031527 (E_RNA) where: Base-Base interactions energy: -1307.201 where: short stacking energy: -549.058 Base-Backbone interact. energy: -1.953 local terms energy: -621.877949 where: bonds (distance) C4'-P energy: -129.077 bonds (distance) P-C4' energy: -113.318 flat angles C4'-P-C4' energy: -125.756 flat angles P-C4'-P energy: -83.567 tors. eta vs tors. theta energy: -170.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1839.376366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.376366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.376366 (E_RNA) where: Base-Base interactions energy: -1262.499 where: short stacking energy: -513.661 Base-Backbone interact. energy: 0.219 local terms energy: -577.096746 where: bonds (distance) C4'-P energy: -119.228 bonds (distance) P-C4' energy: -112.450 flat angles C4'-P-C4' energy: -121.253 flat angles P-C4'-P energy: -74.380 tors. eta vs tors. theta energy: -149.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1620.099615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.099615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.099615 (E_RNA) where: Base-Base interactions energy: -1049.692 where: short stacking energy: -455.652 Base-Backbone interact. energy: -0.969 local terms energy: -569.438797 where: bonds (distance) C4'-P energy: -99.837 bonds (distance) P-C4' energy: -116.372 flat angles C4'-P-C4' energy: -135.372 flat angles P-C4'-P energy: -74.622 tors. eta vs tors. theta energy: -143.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1489.385851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.385851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.385851 (E_RNA) where: Base-Base interactions energy: -960.361 where: short stacking energy: -454.158 Base-Backbone interact. energy: -1.857 local terms energy: -527.168265 where: bonds (distance) C4'-P energy: -91.844 bonds (distance) P-C4' energy: -99.733 flat angles C4'-P-C4' energy: -121.310 flat angles P-C4'-P energy: -78.791 tors. eta vs tors. theta energy: -135.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1143.201869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.201869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.201869 (E_RNA) where: Base-Base interactions energy: -696.800 where: short stacking energy: -334.277 Base-Backbone interact. energy: -1.489 local terms energy: -444.913134 where: bonds (distance) C4'-P energy: -89.719 bonds (distance) P-C4' energy: -98.533 flat angles C4'-P-C4' energy: -106.383 flat angles P-C4'-P energy: -69.475 tors. eta vs tors. theta energy: -80.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -884.186573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.186573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.186573 (E_RNA) where: Base-Base interactions energy: -493.872 where: short stacking energy: -244.670 Base-Backbone interact. energy: 2.985 local terms energy: -393.299952 where: bonds (distance) C4'-P energy: -85.307 bonds (distance) P-C4' energy: -112.841 flat angles C4'-P-C4' energy: -109.785 flat angles P-C4'-P energy: -67.470 tors. eta vs tors. theta energy: -17.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -578.815752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.815752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.815752 (E_RNA) where: Base-Base interactions energy: -253.282 where: short stacking energy: -153.254 Base-Backbone interact. energy: 4.473 local terms energy: -330.006215 where: bonds (distance) C4'-P energy: -90.627 bonds (distance) P-C4' energy: -111.214 flat angles C4'-P-C4' energy: -102.170 flat angles P-C4'-P energy: -52.534 tors. eta vs tors. theta energy: 26.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -475.871576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.871576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.871576 (E_RNA) where: Base-Base interactions energy: -158.939 where: short stacking energy: -147.655 Base-Backbone interact. energy: 1.362 local terms energy: -318.294259 where: bonds (distance) C4'-P energy: -101.235 bonds (distance) P-C4' energy: -107.669 flat angles C4'-P-C4' energy: -68.742 flat angles P-C4'-P energy: -45.970 tors. eta vs tors. theta energy: 5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2137.318462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.318462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.318462 (E_RNA) where: Base-Base interactions energy: -1483.685 where: short stacking energy: -624.559 Base-Backbone interact. energy: -1.767 local terms energy: -651.866740 where: bonds (distance) C4'-P energy: -118.432 bonds (distance) P-C4' energy: -108.540 flat angles C4'-P-C4' energy: -144.587 flat angles P-C4'-P energy: -96.588 tors. eta vs tors. theta energy: -183.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2065.053167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.053167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.053167 (E_RNA) where: Base-Base interactions energy: -1422.883 where: short stacking energy: -619.173 Base-Backbone interact. energy: -0.446 local terms energy: -641.724478 where: bonds (distance) C4'-P energy: -120.148 bonds (distance) P-C4' energy: -109.380 flat angles C4'-P-C4' energy: -134.119 flat angles P-C4'-P energy: -89.328 tors. eta vs tors. theta energy: -188.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1937.542577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.542577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.542577 (E_RNA) where: Base-Base interactions energy: -1330.152 where: short stacking energy: -563.827 Base-Backbone interact. energy: -0.487 local terms energy: -606.904057 where: bonds (distance) C4'-P energy: -115.356 bonds (distance) P-C4' energy: -126.292 flat angles C4'-P-C4' energy: -138.442 flat angles P-C4'-P energy: -74.246 tors. eta vs tors. theta energy: -152.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1834.944321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.944321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.944321 (E_RNA) where: Base-Base interactions energy: -1220.943 where: short stacking energy: -521.333 Base-Backbone interact. energy: -2.720 local terms energy: -611.280713 where: bonds (distance) C4'-P energy: -109.175 bonds (distance) P-C4' energy: -131.093 flat angles C4'-P-C4' energy: -125.994 flat angles P-C4'-P energy: -85.371 tors. eta vs tors. theta energy: -159.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1613.147192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.147192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.147192 (E_RNA) where: Base-Base interactions energy: -1039.594 where: short stacking energy: -478.360 Base-Backbone interact. energy: -3.439 local terms energy: -570.114208 where: bonds (distance) C4'-P energy: -97.943 bonds (distance) P-C4' energy: -115.534 flat angles C4'-P-C4' energy: -129.779 flat angles P-C4'-P energy: -82.162 tors. eta vs tors. theta energy: -144.696 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: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1473.833992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.833992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.833992 (E_RNA) where: Base-Base interactions energy: -956.104 where: short stacking energy: -411.074 Base-Backbone interact. energy: -0.273 local terms energy: -517.456941 where: bonds (distance) C4'-P energy: -108.107 bonds (distance) P-C4' energy: -126.600 flat angles C4'-P-C4' energy: -101.797 flat angles P-C4'-P energy: -66.849 tors. eta vs tors. theta energy: -114.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1088.014210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.014210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.014210 (E_RNA) where: Base-Base interactions energy: -625.347 where: short stacking energy: -308.827 Base-Backbone interact. energy: -1.510 local terms energy: -461.157261 where: bonds (distance) C4'-P energy: -91.859 bonds (distance) P-C4' energy: -111.278 flat angles C4'-P-C4' energy: -113.654 flat angles P-C4'-P energy: -68.416 tors. eta vs tors. theta energy: -75.951 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: 8, replica: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -801.822287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.822287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.822287 (E_RNA) where: Base-Base interactions energy: -428.728 where: short stacking energy: -243.927 Base-Backbone interact. energy: -0.306 local terms energy: -372.787748 where: bonds (distance) C4'-P energy: -88.136 bonds (distance) P-C4' energy: -106.774 flat angles C4'-P-C4' energy: -89.624 flat angles P-C4'-P energy: -62.551 tors. eta vs tors. theta energy: -25.703 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: 8 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -635.287511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.287511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.287511 (E_RNA) where: Base-Base interactions energy: -291.022 where: short stacking energy: -205.762 Base-Backbone interact. energy: -0.262 local terms energy: -344.003700 where: bonds (distance) C4'-P energy: -102.338 bonds (distance) P-C4' energy: -84.360 flat angles C4'-P-C4' energy: -85.452 flat angles P-C4'-P energy: -54.022 tors. eta vs tors. theta energy: -17.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -462.996734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.996734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.996734 (E_RNA) where: Base-Base interactions energy: -188.762 where: short stacking energy: -140.601 Base-Backbone interact. energy: 5.771 local terms energy: -280.005927 where: bonds (distance) C4'-P energy: -99.567 bonds (distance) P-C4' energy: -90.844 flat angles C4'-P-C4' energy: -80.525 flat angles P-C4'-P energy: -41.365 tors. eta vs tors. theta energy: 32.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2122.342929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.342929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.342929 (E_RNA) where: Base-Base interactions energy: -1466.647 where: short stacking energy: -596.361 Base-Backbone interact. energy: -1.456 local terms energy: -654.239483 where: bonds (distance) C4'-P energy: -114.086 bonds (distance) P-C4' energy: -126.574 flat angles C4'-P-C4' energy: -141.090 flat angles P-C4'-P energy: -97.179 tors. eta vs tors. theta energy: -175.311 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: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2044.688905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.688905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.688905 (E_RNA) where: Base-Base interactions energy: -1415.543 where: short stacking energy: -595.934 Base-Backbone interact. energy: -3.039 local terms energy: -626.106090 where: bonds (distance) C4'-P energy: -118.036 bonds (distance) P-C4' energy: -115.500 flat angles C4'-P-C4' energy: -127.311 flat angles P-C4'-P energy: -90.468 tors. eta vs tors. theta energy: -174.791 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: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1911.613737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.613737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.613737 (E_RNA) where: Base-Base interactions energy: -1308.408 where: short stacking energy: -561.290 Base-Backbone interact. energy: -1.221 local terms energy: -601.984719 where: bonds (distance) C4'-P energy: -114.863 bonds (distance) P-C4' energy: -115.225 flat angles C4'-P-C4' energy: -127.045 flat angles P-C4'-P energy: -82.102 tors. eta vs tors. theta energy: -162.749 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: 4, replica: 3 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1835.257610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.257610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.257610 (E_RNA) where: Base-Base interactions energy: -1202.242 where: short stacking energy: -533.305 Base-Backbone interact. energy: -2.810 local terms energy: -630.205599 where: bonds (distance) C4'-P energy: -120.714 bonds (distance) P-C4' energy: -133.358 flat angles C4'-P-C4' energy: -126.986 flat angles P-C4'-P energy: -90.554 tors. eta vs tors. theta energy: -158.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1612.877873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.877873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.877873 (E_RNA) where: Base-Base interactions energy: -1049.697 where: short stacking energy: -476.069 Base-Backbone interact. energy: 2.816 local terms energy: -565.996935 where: bonds (distance) C4'-P energy: -110.823 bonds (distance) P-C4' energy: -96.461 flat angles C4'-P-C4' energy: -129.609 flat angles P-C4'-P energy: -76.898 tors. eta vs tors. theta energy: -152.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1471.673240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.673240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.673240 (E_RNA) where: Base-Base interactions energy: -957.961 where: short stacking energy: -441.071 Base-Backbone interact. energy: 0.321 local terms energy: -514.033134 where: bonds (distance) C4'-P energy: -93.048 bonds (distance) P-C4' energy: -84.914 flat angles C4'-P-C4' energy: -120.528 flat angles P-C4'-P energy: -77.262 tors. eta vs tors. theta energy: -138.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1051.063699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.063699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.063699 (E_RNA) where: Base-Base interactions energy: -636.809 where: short stacking energy: -295.315 Base-Backbone interact. energy: -4.328 local terms energy: -409.926640 where: bonds (distance) C4'-P energy: -91.700 bonds (distance) P-C4' energy: -107.802 flat angles C4'-P-C4' energy: -115.556 flat angles P-C4'-P energy: -59.310 tors. eta vs tors. theta energy: -35.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -777.353526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.353526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.353526 (E_RNA) where: Base-Base interactions energy: -404.488 where: short stacking energy: -233.479 Base-Backbone interact. energy: 2.619 local terms energy: -375.485267 where: bonds (distance) C4'-P energy: -112.314 bonds (distance) P-C4' energy: -93.284 flat angles C4'-P-C4' energy: -83.548 flat angles P-C4'-P energy: -67.398 tors. eta vs tors. theta energy: -18.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -630.748062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.748062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.748062 (E_RNA) where: Base-Base interactions energy: -277.416 where: short stacking energy: -167.895 Base-Backbone interact. energy: 1.381 local terms energy: -354.713142 where: bonds (distance) C4'-P energy: -102.882 bonds (distance) P-C4' energy: -97.866 flat angles C4'-P-C4' energy: -96.890 flat angles P-C4'-P energy: -53.493 tors. eta vs tors. theta energy: -3.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -472.637602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.637602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.637602 (E_RNA) where: Base-Base interactions energy: -168.630 where: short stacking energy: -152.043 Base-Backbone interact. energy: 8.688 local terms energy: -312.696347 where: bonds (distance) C4'-P energy: -98.955 bonds (distance) P-C4' energy: -102.620 flat angles C4'-P-C4' energy: -89.404 flat angles P-C4'-P energy: -28.946 tors. eta vs tors. theta energy: 7.229 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: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2116.196140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.196140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.196140 (E_RNA) where: Base-Base interactions energy: -1463.405 where: short stacking energy: -580.628 Base-Backbone interact. energy: -2.916 local terms energy: -649.875671 where: bonds (distance) C4'-P energy: -129.596 bonds (distance) P-C4' energy: -112.156 flat angles C4'-P-C4' energy: -136.197 flat angles P-C4'-P energy: -98.594 tors. eta vs tors. theta energy: -173.332 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: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2077.650375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.650375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.650375 (E_RNA) where: Base-Base interactions energy: -1447.430 where: short stacking energy: -584.846 Base-Backbone interact. energy: -1.084 local terms energy: -629.135647 where: bonds (distance) C4'-P energy: -115.244 bonds (distance) P-C4' energy: -115.889 flat angles C4'-P-C4' energy: -131.983 flat angles P-C4'-P energy: -92.295 tors. eta vs tors. theta energy: -173.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1933.169665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.169665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.169665 (E_RNA) where: Base-Base interactions energy: -1351.785 where: short stacking energy: -556.437 Base-Backbone interact. energy: 0.855 local terms energy: -582.240441 where: bonds (distance) C4'-P energy: -106.818 bonds (distance) P-C4' energy: -93.382 flat angles C4'-P-C4' energy: -129.644 flat angles P-C4'-P energy: -83.835 tors. eta vs tors. theta energy: -168.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1805.188056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.188056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.188056 (E_RNA) where: Base-Base interactions energy: -1192.757 where: short stacking energy: -510.650 Base-Backbone interact. energy: -2.899 local terms energy: -609.531781 where: bonds (distance) C4'-P energy: -108.554 bonds (distance) P-C4' energy: -108.867 flat angles C4'-P-C4' energy: -131.583 flat angles P-C4'-P energy: -99.295 tors. eta vs tors. theta energy: -161.233 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: 243 Temperature: 1.100000 Total energy: -1606.354372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.354372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.354372 (E_RNA) where: Base-Base interactions energy: -1047.963 where: short stacking energy: -476.319 Base-Backbone interact. energy: 3.288 local terms energy: -561.679415 where: bonds (distance) C4'-P energy: -105.774 bonds (distance) P-C4' energy: -104.176 flat angles C4'-P-C4' energy: -129.587 flat angles P-C4'-P energy: -71.931 tors. eta vs tors. theta energy: -150.211 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: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1513.783636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.783636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.783636 (E_RNA) where: Base-Base interactions energy: -983.670 where: short stacking energy: -463.114 Base-Backbone interact. energy: 1.410 local terms energy: -531.523705 where: bonds (distance) C4'-P energy: -83.689 bonds (distance) P-C4' energy: -124.259 flat angles C4'-P-C4' energy: -120.369 flat angles P-C4'-P energy: -83.260 tors. eta vs tors. theta energy: -119.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -991.607460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.607460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.607460 (E_RNA) where: Base-Base interactions energy: -567.040 where: short stacking energy: -283.689 Base-Backbone interact. energy: -0.742 local terms energy: -423.825029 where: bonds (distance) C4'-P energy: -108.342 bonds (distance) P-C4' energy: -98.607 flat angles C4'-P-C4' energy: -94.839 flat angles P-C4'-P energy: -70.667 tors. eta vs tors. theta energy: -51.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -778.590880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.590880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.590880 (E_RNA) where: Base-Base interactions energy: -413.712 where: short stacking energy: -227.581 Base-Backbone interact. energy: 0.473 local terms energy: -365.351555 where: bonds (distance) C4'-P energy: -100.810 bonds (distance) P-C4' energy: -96.115 flat angles C4'-P-C4' energy: -99.894 flat angles P-C4'-P energy: -41.985 tors. eta vs tors. theta energy: -26.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -606.420852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.420852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.420852 (E_RNA) where: Base-Base interactions energy: -266.491 where: short stacking energy: -192.808 Base-Backbone interact. energy: 0.249 local terms energy: -340.179040 where: bonds (distance) C4'-P energy: -105.375 bonds (distance) P-C4' energy: -107.561 flat angles C4'-P-C4' energy: -79.471 flat angles P-C4'-P energy: -37.526 tors. eta vs tors. theta energy: -10.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -462.087147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.087147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.087147 (E_RNA) where: Base-Base interactions energy: -138.774 where: short stacking energy: -117.142 Base-Backbone interact. energy: -2.102 local terms energy: -321.211017 where: bonds (distance) C4'-P energy: -107.644 bonds (distance) P-C4' energy: -105.639 flat angles C4'-P-C4' energy: -82.217 flat angles P-C4'-P energy: -51.059 tors. eta vs tors. theta energy: 25.348 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: 7 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2134.881708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.881708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.881708 (E_RNA) where: Base-Base interactions energy: -1492.216 where: short stacking energy: -604.766 Base-Backbone interact. energy: -1.647 local terms energy: -641.018169 where: bonds (distance) C4'-P energy: -112.886 bonds (distance) P-C4' energy: -115.128 flat angles C4'-P-C4' energy: -132.395 flat angles P-C4'-P energy: -90.778 tors. eta vs tors. theta energy: -189.832 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: 1 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2054.531311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.531311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.531311 (E_RNA) where: Base-Base interactions energy: -1411.200 where: short stacking energy: -581.165 Base-Backbone interact. energy: -4.011 local terms energy: -639.320469 where: bonds (distance) C4'-P energy: -108.429 bonds (distance) P-C4' energy: -124.326 flat angles C4'-P-C4' energy: -139.071 flat angles P-C4'-P energy: -91.997 tors. eta vs tors. theta energy: -175.496 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: 5 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1929.743136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.743136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.743136 (E_RNA) where: Base-Base interactions energy: -1305.235 where: short stacking energy: -555.963 Base-Backbone interact. energy: 2.202 local terms energy: -626.710146 where: bonds (distance) C4'-P energy: -131.987 bonds (distance) P-C4' energy: -109.970 flat angles C4'-P-C4' energy: -136.647 flat angles P-C4'-P energy: -93.240 tors. eta vs tors. theta energy: -154.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1823.130230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.130230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.130230 (E_RNA) where: Base-Base interactions energy: -1230.156 where: short stacking energy: -504.649 Base-Backbone interact. energy: -3.498 local terms energy: -589.476399 where: bonds (distance) C4'-P energy: -120.553 bonds (distance) P-C4' energy: -104.485 flat angles C4'-P-C4' energy: -126.906 flat angles P-C4'-P energy: -75.757 tors. eta vs tors. theta energy: -161.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1600.590745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.590745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.590745 (E_RNA) where: Base-Base interactions energy: -1044.934 where: short stacking energy: -480.770 Base-Backbone interact. energy: 4.769 local terms energy: -560.426252 where: bonds (distance) C4'-P energy: -104.242 bonds (distance) P-C4' energy: -111.506 flat angles C4'-P-C4' energy: -134.274 flat angles P-C4'-P energy: -72.877 tors. eta vs tors. theta energy: -137.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1492.333308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.333308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.333308 (E_RNA) where: Base-Base interactions energy: -971.803 where: short stacking energy: -426.556 Base-Backbone interact. energy: 0.619 local terms energy: -521.149419 where: bonds (distance) C4'-P energy: -108.422 bonds (distance) P-C4' energy: -91.964 flat angles C4'-P-C4' energy: -117.051 flat angles P-C4'-P energy: -78.332 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: 7, replica: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -992.754813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.754813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.754813 (E_RNA) where: Base-Base interactions energy: -576.848 where: short stacking energy: -287.329 Base-Backbone interact. energy: -2.762 local terms energy: -413.145127 where: bonds (distance) C4'-P energy: -112.959 bonds (distance) P-C4' energy: -98.711 flat angles C4'-P-C4' energy: -106.413 flat angles P-C4'-P energy: -52.002 tors. eta vs tors. theta energy: -43.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -799.310303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.310303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.310303 (E_RNA) where: Base-Base interactions energy: -392.178 where: short stacking energy: -234.936 Base-Backbone interact. energy: -1.697 local terms energy: -405.434696 where: bonds (distance) C4'-P energy: -108.763 bonds (distance) P-C4' energy: -111.207 flat angles C4'-P-C4' energy: -85.566 flat angles P-C4'-P energy: -74.137 tors. eta vs tors. theta energy: -25.763 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: 244 Temperature: 1.300000 Total energy: -577.991907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.991907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.991907 (E_RNA) where: Base-Base interactions energy: -264.858 where: short stacking energy: -149.914 Base-Backbone interact. energy: -2.376 local terms energy: -310.757599 where: bonds (distance) C4'-P energy: -81.202 bonds (distance) P-C4' energy: -99.353 flat angles C4'-P-C4' energy: -89.290 flat angles P-C4'-P energy: -49.311 tors. eta vs tors. theta energy: 8.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -450.540566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.540566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.540566 (E_RNA) where: Base-Base interactions energy: -133.134 where: short stacking energy: -108.709 Base-Backbone interact. energy: 4.840 local terms energy: -322.247053 where: bonds (distance) C4'-P energy: -101.020 bonds (distance) P-C4' energy: -110.418 flat angles C4'-P-C4' energy: -84.253 flat angles P-C4'-P energy: -51.142 tors. eta vs tors. theta energy: 24.586 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: 7 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2123.823751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.823751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.823751 (E_RNA) where: Base-Base interactions energy: -1441.241 where: short stacking energy: -598.331 Base-Backbone interact. energy: -5.915 local terms energy: -676.667244 where: bonds (distance) C4'-P energy: -130.278 bonds (distance) P-C4' energy: -122.316 flat angles C4'-P-C4' energy: -147.821 flat angles P-C4'-P energy: -98.797 tors. eta vs tors. theta energy: -177.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2074.428557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.428557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.428557 (E_RNA) where: Base-Base interactions energy: -1450.212 where: short stacking energy: -580.119 Base-Backbone interact. energy: -3.617 local terms energy: -620.599741 where: bonds (distance) C4'-P energy: -102.343 bonds (distance) P-C4' energy: -113.494 flat angles C4'-P-C4' energy: -136.721 flat angles P-C4'-P energy: -93.041 tors. eta vs tors. theta energy: -175.001 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: 5 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1923.404046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.404046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.404046 (E_RNA) where: Base-Base interactions energy: -1286.046 where: short stacking energy: -551.653 Base-Backbone interact. energy: -0.653 local terms energy: -636.705121 where: bonds (distance) C4'-P energy: -125.369 bonds (distance) P-C4' energy: -117.476 flat angles C4'-P-C4' energy: -131.804 flat angles P-C4'-P energy: -100.444 tors. eta vs tors. theta energy: -161.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1817.857025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.857025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.857025 (E_RNA) where: Base-Base interactions energy: -1245.909 where: short stacking energy: -516.039 Base-Backbone interact. energy: 1.788 local terms energy: -573.735766 where: bonds (distance) C4'-P energy: -108.663 bonds (distance) P-C4' energy: -115.751 flat angles C4'-P-C4' energy: -124.871 flat angles P-C4'-P energy: -70.647 tors. eta vs tors. theta energy: -153.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1613.698929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.698929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.698929 (E_RNA) where: Base-Base interactions energy: -1055.240 where: short stacking energy: -470.490 Base-Backbone interact. energy: -0.337 local terms energy: -558.121802 where: bonds (distance) C4'-P energy: -112.747 bonds (distance) P-C4' energy: -98.507 flat angles C4'-P-C4' energy: -127.701 flat angles P-C4'-P energy: -80.467 tors. eta vs tors. theta energy: -138.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1493.804847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.804847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.804847 (E_RNA) where: Base-Base interactions energy: -1005.508 where: short stacking energy: -459.596 Base-Backbone interact. energy: 2.385 local terms energy: -490.682017 where: bonds (distance) C4'-P energy: -88.018 bonds (distance) P-C4' energy: -97.215 flat angles C4'-P-C4' energy: -117.698 flat angles P-C4'-P energy: -62.872 tors. eta vs tors. theta energy: -124.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1005.030131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.030131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.030131 (E_RNA) where: Base-Base interactions energy: -623.398 where: short stacking energy: -267.147 Base-Backbone interact. energy: -0.211 local terms energy: -381.421156 where: bonds (distance) C4'-P energy: -104.717 bonds (distance) P-C4' energy: -101.265 flat angles C4'-P-C4' energy: -70.156 flat angles P-C4'-P energy: -64.148 tors. eta vs tors. theta energy: -41.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -732.633238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.633238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.633238 (E_RNA) where: Base-Base interactions energy: -360.957 where: short stacking energy: -240.250 Base-Backbone interact. energy: -0.082 local terms energy: -371.594422 where: bonds (distance) C4'-P energy: -94.455 bonds (distance) P-C4' energy: -109.220 flat angles C4'-P-C4' energy: -83.971 flat angles P-C4'-P energy: -60.473 tors. eta vs tors. theta energy: -23.476 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: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -604.051459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.051459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.051459 (E_RNA) where: Base-Base interactions energy: -239.589 where: short stacking energy: -151.621 Base-Backbone interact. energy: -0.007 local terms energy: -364.455361 where: bonds (distance) C4'-P energy: -104.953 bonds (distance) P-C4' energy: -115.508 flat angles C4'-P-C4' energy: -99.988 flat angles P-C4'-P energy: -48.464 tors. eta vs tors. theta energy: 4.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -485.568382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.568382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.568382 (E_RNA) where: Base-Base interactions energy: -167.157 where: short stacking energy: -142.973 Base-Backbone interact. energy: -1.836 local terms energy: -316.575537 where: bonds (distance) C4'-P energy: -96.056 bonds (distance) P-C4' energy: -103.722 flat angles C4'-P-C4' energy: -86.319 flat angles P-C4'-P energy: -39.597 tors. eta vs tors. theta energy: 9.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2114.647994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.647994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.647994 (E_RNA) where: Base-Base interactions energy: -1455.604 where: short stacking energy: -618.448 Base-Backbone interact. energy: -3.067 local terms energy: -655.976841 where: bonds (distance) C4'-P energy: -119.396 bonds (distance) P-C4' energy: -125.354 flat angles C4'-P-C4' energy: -143.053 flat angles P-C4'-P energy: -81.478 tors. eta vs tors. theta energy: -186.695 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: 2, replica: 1 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2082.108218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.108218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.108218 (E_RNA) where: Base-Base interactions energy: -1435.230 where: short stacking energy: -584.074 Base-Backbone interact. energy: -0.348 local terms energy: -646.530092 where: bonds (distance) C4'-P energy: -117.420 bonds (distance) P-C4' energy: -128.298 flat angles C4'-P-C4' energy: -132.430 flat angles P-C4'-P energy: -88.310 tors. eta vs tors. theta energy: -180.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1918.784023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.784023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.784023 (E_RNA) where: Base-Base interactions energy: -1282.043 where: short stacking energy: -572.167 Base-Backbone interact. energy: 2.448 local terms energy: -639.188869 where: bonds (distance) C4'-P energy: -112.832 bonds (distance) P-C4' energy: -119.905 flat angles C4'-P-C4' energy: -139.422 flat angles P-C4'-P energy: -96.057 tors. eta vs tors. theta energy: -170.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1778.256086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.256086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.256086 (E_RNA) where: Base-Base interactions energy: -1195.673 where: short stacking energy: -498.744 Base-Backbone interact. energy: 0.695 local terms energy: -583.278579 where: bonds (distance) C4'-P energy: -116.093 bonds (distance) P-C4' energy: -121.268 flat angles C4'-P-C4' energy: -123.958 flat angles P-C4'-P energy: -72.216 tors. eta vs tors. theta energy: -149.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1606.939172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.939172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.939172 (E_RNA) where: Base-Base interactions energy: -1026.670 where: short stacking energy: -468.395 Base-Backbone interact. energy: -1.602 local terms energy: -578.667539 where: bonds (distance) C4'-P energy: -114.482 bonds (distance) P-C4' energy: -115.165 flat angles C4'-P-C4' energy: -138.422 flat angles P-C4'-P energy: -68.685 tors. eta vs tors. theta energy: -141.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1400.900069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.900069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.900069 (E_RNA) where: Base-Base interactions energy: -900.482 where: short stacking energy: -405.243 Base-Backbone interact. energy: 5.312 local terms energy: -505.729948 where: bonds (distance) C4'-P energy: -110.356 bonds (distance) P-C4' energy: -124.931 flat angles C4'-P-C4' energy: -116.551 flat angles P-C4'-P energy: -62.476 tors. eta vs tors. theta energy: -91.416 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: 10 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1042.665520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.665520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.665520 (E_RNA) where: Base-Base interactions energy: -619.156 where: short stacking energy: -298.857 Base-Backbone interact. energy: -3.412 local terms energy: -420.097970 where: bonds (distance) C4'-P energy: -99.544 bonds (distance) P-C4' energy: -123.549 flat angles C4'-P-C4' energy: -92.180 flat angles P-C4'-P energy: -60.461 tors. eta vs tors. theta energy: -44.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -816.013591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.013591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.013591 (E_RNA) where: Base-Base interactions energy: -403.531 where: short stacking energy: -207.056 Base-Backbone interact. energy: 0.197 local terms energy: -412.679345 where: bonds (distance) C4'-P energy: -98.456 bonds (distance) P-C4' energy: -101.495 flat angles C4'-P-C4' energy: -124.912 flat angles P-C4'-P energy: -67.543 tors. eta vs tors. theta energy: -20.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -637.617974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.617974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.617974 (E_RNA) where: Base-Base interactions energy: -314.574 where: short stacking energy: -194.534 Base-Backbone interact. energy: -0.054 local terms energy: -322.990085 where: bonds (distance) C4'-P energy: -100.514 bonds (distance) P-C4' energy: -91.297 flat angles C4'-P-C4' energy: -65.629 flat angles P-C4'-P energy: -54.943 tors. eta vs tors. theta energy: -10.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -526.589602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.589602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.589602 (E_RNA) where: Base-Base interactions energy: -178.079 where: short stacking energy: -164.553 Base-Backbone interact. energy: -1.522 local terms energy: -346.988906 where: bonds (distance) C4'-P energy: -100.466 bonds (distance) P-C4' energy: -118.549 flat angles C4'-P-C4' energy: -90.411 flat angles P-C4'-P energy: -47.230 tors. eta vs tors. theta energy: 9.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2117.665827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.665827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.665827 (E_RNA) where: Base-Base interactions energy: -1440.637 where: short stacking energy: -607.342 Base-Backbone interact. energy: -2.730 local terms energy: -674.298435 where: bonds (distance) C4'-P energy: -126.596 bonds (distance) P-C4' energy: -131.563 flat angles C4'-P-C4' energy: -141.837 flat angles P-C4'-P energy: -87.167 tors. eta vs tors. theta energy: -187.135 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: 1 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2085.536829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.536829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.536829 (E_RNA) where: Base-Base interactions energy: -1430.991 where: short stacking energy: -572.929 Base-Backbone interact. energy: -1.791 local terms energy: -652.755675 where: bonds (distance) C4'-P energy: -124.051 bonds (distance) P-C4' energy: -121.698 flat angles C4'-P-C4' energy: -137.667 flat angles P-C4'-P energy: -89.524 tors. eta vs tors. theta energy: -179.816 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: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1921.847742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.847742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.847742 (E_RNA) where: Base-Base interactions energy: -1304.332 where: short stacking energy: -561.118 Base-Backbone interact. energy: -2.008 local terms energy: -615.507387 where: bonds (distance) C4'-P energy: -102.365 bonds (distance) P-C4' energy: -110.682 flat angles C4'-P-C4' energy: -134.480 flat angles P-C4'-P energy: -96.283 tors. eta vs tors. theta energy: -171.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1809.829633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.829633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.829633 (E_RNA) where: Base-Base interactions energy: -1198.012 where: short stacking energy: -510.555 Base-Backbone interact. energy: -1.757 local terms energy: -610.059908 where: bonds (distance) C4'-P energy: -114.066 bonds (distance) P-C4' energy: -113.544 flat angles C4'-P-C4' energy: -138.886 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -158.737 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: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1610.452972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.452972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.452972 (E_RNA) where: Base-Base interactions energy: -1050.729 where: short stacking energy: -472.440 Base-Backbone interact. energy: 0.590 local terms energy: -560.314072 where: bonds (distance) C4'-P energy: -108.594 bonds (distance) P-C4' energy: -109.260 flat angles C4'-P-C4' energy: -126.069 flat angles P-C4'-P energy: -78.744 tors. eta vs tors. theta energy: -137.647 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: 4 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1419.880496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.880496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.880496 (E_RNA) where: Base-Base interactions energy: -905.166 where: short stacking energy: -406.612 Base-Backbone interact. energy: -1.367 local terms energy: -513.348107 where: bonds (distance) C4'-P energy: -112.149 bonds (distance) P-C4' energy: -112.473 flat angles C4'-P-C4' energy: -120.455 flat angles P-C4'-P energy: -68.394 tors. eta vs tors. theta energy: -99.877 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: 7, replica: 10 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1006.830530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.830530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.830530 (E_RNA) where: Base-Base interactions energy: -585.503 where: short stacking energy: -292.386 Base-Backbone interact. energy: -0.483 local terms energy: -420.844538 where: bonds (distance) C4'-P energy: -105.388 bonds (distance) P-C4' energy: -109.461 flat angles C4'-P-C4' energy: -95.730 flat angles P-C4'-P energy: -69.597 tors. eta vs tors. theta energy: -40.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -841.585034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.585034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.585034 (E_RNA) where: Base-Base interactions energy: -433.940 where: short stacking energy: -219.250 Base-Backbone interact. energy: 0.889 local terms energy: -408.534032 where: bonds (distance) C4'-P energy: -111.180 bonds (distance) P-C4' energy: -111.058 flat angles C4'-P-C4' energy: -101.140 flat angles P-C4'-P energy: -67.984 tors. eta vs tors. theta energy: -17.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -573.444213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.444213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.444213 (E_RNA) where: Base-Base interactions energy: -218.289 where: short stacking energy: -172.536 Base-Backbone interact. energy: -1.620 local terms energy: -353.534957 where: bonds (distance) C4'-P energy: -85.240 bonds (distance) P-C4' energy: -119.984 flat angles C4'-P-C4' energy: -88.741 flat angles P-C4'-P energy: -48.167 tors. eta vs tors. theta energy: -11.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -507.948133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.948133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.948133 (E_RNA) where: Base-Base interactions energy: -190.751 where: short stacking energy: -139.128 Base-Backbone interact. energy: 8.232 local terms energy: -325.429374 where: bonds (distance) C4'-P energy: -113.747 bonds (distance) P-C4' energy: -103.350 flat angles C4'-P-C4' energy: -92.486 flat angles P-C4'-P energy: -36.286 tors. eta vs tors. theta energy: 20.441 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: 7 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2092.428978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.428978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.428978 (E_RNA) where: Base-Base interactions energy: -1442.883 where: short stacking energy: -606.511 Base-Backbone interact. energy: -3.202 local terms energy: -646.344254 where: bonds (distance) C4'-P energy: -111.597 bonds (distance) P-C4' energy: -120.543 flat angles C4'-P-C4' energy: -125.888 flat angles P-C4'-P energy: -109.313 tors. eta vs tors. theta energy: -179.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2067.775190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.775190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.775190 (E_RNA) where: Base-Base interactions energy: -1445.392 where: short stacking energy: -604.923 Base-Backbone interact. energy: -3.868 local terms energy: -618.514574 where: bonds (distance) C4'-P energy: -113.396 bonds (distance) P-C4' energy: -102.864 flat angles C4'-P-C4' energy: -131.027 flat angles P-C4'-P energy: -96.871 tors. eta vs tors. theta energy: -174.356 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: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1955.929292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.929292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.929292 (E_RNA) where: Base-Base interactions energy: -1331.110 where: short stacking energy: -558.014 Base-Backbone interact. energy: -2.752 local terms energy: -622.067360 where: bonds (distance) C4'-P energy: -114.372 bonds (distance) P-C4' energy: -119.288 flat angles C4'-P-C4' energy: -126.955 flat angles P-C4'-P energy: -97.132 tors. eta vs tors. theta energy: -164.321 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: 3 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1796.856393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.856393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.856393 (E_RNA) where: Base-Base interactions energy: -1226.735 where: short stacking energy: -503.885 Base-Backbone interact. energy: 1.952 local terms energy: -572.073604 where: bonds (distance) C4'-P energy: -100.400 bonds (distance) P-C4' energy: -115.515 flat angles C4'-P-C4' energy: -124.674 flat angles P-C4'-P energy: -81.762 tors. eta vs tors. theta energy: -149.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1620.882819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.882819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.882819 (E_RNA) where: Base-Base interactions energy: -1061.873 where: short stacking energy: -457.937 Base-Backbone interact. energy: -1.528 local terms energy: -557.481160 where: bonds (distance) C4'-P energy: -115.958 bonds (distance) P-C4' energy: -112.833 flat angles C4'-P-C4' energy: -120.903 flat angles P-C4'-P energy: -76.554 tors. eta vs tors. theta energy: -131.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1446.331001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.331001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.331001 (E_RNA) where: Base-Base interactions energy: -911.229 where: short stacking energy: -396.884 Base-Backbone interact. energy: 2.773 local terms energy: -537.875514 where: bonds (distance) C4'-P energy: -117.493 bonds (distance) P-C4' energy: -121.189 flat angles C4'-P-C4' energy: -126.960 flat angles P-C4'-P energy: -63.934 tors. eta vs tors. theta energy: -108.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1050.073759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.073759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.073759 (E_RNA) where: Base-Base interactions energy: -630.302 where: short stacking energy: -319.391 Base-Backbone interact. energy: -1.074 local terms energy: -418.697707 where: bonds (distance) C4'-P energy: -89.264 bonds (distance) P-C4' energy: -98.701 flat angles C4'-P-C4' energy: -97.764 flat angles P-C4'-P energy: -70.507 tors. eta vs tors. theta energy: -62.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -873.746724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.746724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.746724 (E_RNA) where: Base-Base interactions energy: -477.859 where: short stacking energy: -259.994 Base-Backbone interact. energy: -2.073 local terms energy: -393.814915 where: bonds (distance) C4'-P energy: -85.341 bonds (distance) P-C4' energy: -120.658 flat angles C4'-P-C4' energy: -106.916 flat angles P-C4'-P energy: -51.731 tors. eta vs tors. theta energy: -29.169 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: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -550.906464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.906464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.906464 (E_RNA) where: Base-Base interactions energy: -242.195 where: short stacking energy: -191.170 Base-Backbone interact. energy: 3.344 local terms energy: -312.055347 where: bonds (distance) C4'-P energy: -88.320 bonds (distance) P-C4' energy: -105.612 flat angles C4'-P-C4' energy: -80.787 flat angles P-C4'-P energy: -44.295 tors. eta vs tors. theta energy: 6.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -612.141444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.141444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.141444 (E_RNA) where: Base-Base interactions energy: -288.702 where: short stacking energy: -174.781 Base-Backbone interact. energy: 4.900 local terms energy: -328.338631 where: bonds (distance) C4'-P energy: -103.906 bonds (distance) P-C4' energy: -100.762 flat angles C4'-P-C4' energy: -90.902 flat angles P-C4'-P energy: -40.903 tors. eta vs tors. theta energy: 8.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2109.573412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.573412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.573412 (E_RNA) where: Base-Base interactions energy: -1434.905 where: short stacking energy: -599.224 Base-Backbone interact. energy: -1.468 local terms energy: -673.200889 where: bonds (distance) C4'-P energy: -111.175 bonds (distance) P-C4' energy: -134.652 flat angles C4'-P-C4' energy: -142.779 flat angles P-C4'-P energy: -101.628 tors. eta vs tors. theta energy: -182.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2097.284494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.284494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.284494 (E_RNA) where: Base-Base interactions energy: -1444.403 where: short stacking energy: -582.367 Base-Backbone interact. energy: -0.783 local terms energy: -652.097717 where: bonds (distance) C4'-P energy: -118.193 bonds (distance) P-C4' energy: -121.663 flat angles C4'-P-C4' energy: -132.774 flat angles P-C4'-P energy: -97.740 tors. eta vs tors. theta energy: -181.727 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: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1929.508437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.508437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.508437 (E_RNA) where: Base-Base interactions energy: -1291.857 where: short stacking energy: -538.326 Base-Backbone interact. energy: -3.656 local terms energy: -633.994836 where: bonds (distance) C4'-P energy: -122.535 bonds (distance) P-C4' energy: -126.348 flat angles C4'-P-C4' energy: -125.502 flat angles P-C4'-P energy: -90.600 tors. eta vs tors. theta energy: -169.010 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: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1776.014998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.014998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.014998 (E_RNA) where: Base-Base interactions energy: -1205.131 where: short stacking energy: -500.108 Base-Backbone interact. energy: -1.368 local terms energy: -569.515639 where: bonds (distance) C4'-P energy: -94.558 bonds (distance) P-C4' energy: -113.696 flat angles C4'-P-C4' energy: -121.777 flat angles P-C4'-P energy: -88.191 tors. eta vs tors. theta energy: -151.293 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: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1625.746120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.746120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.746120 (E_RNA) where: Base-Base interactions energy: -1059.873 where: short stacking energy: -472.049 Base-Backbone interact. energy: -3.988 local terms energy: -561.885206 where: bonds (distance) C4'-P energy: -108.233 bonds (distance) P-C4' energy: -104.504 flat angles C4'-P-C4' energy: -133.691 flat angles P-C4'-P energy: -75.021 tors. eta vs tors. theta energy: -140.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1508.722851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.722851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.722851 (E_RNA) where: Base-Base interactions energy: -1004.818 where: short stacking energy: -470.022 Base-Backbone interact. energy: -1.186 local terms energy: -502.719075 where: bonds (distance) C4'-P energy: -110.743 bonds (distance) P-C4' energy: -79.496 flat angles C4'-P-C4' energy: -116.459 flat angles P-C4'-P energy: -59.256 tors. eta vs tors. theta energy: -136.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1004.226047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.226047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.226047 (E_RNA) where: Base-Base interactions energy: -575.939 where: short stacking energy: -314.989 Base-Backbone interact. energy: 0.020 local terms energy: -428.307109 where: bonds (distance) C4'-P energy: -93.232 bonds (distance) P-C4' energy: -118.022 flat angles C4'-P-C4' energy: -103.635 flat angles P-C4'-P energy: -57.809 tors. eta vs tors. theta energy: -55.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -905.640299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.640299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.640299 (E_RNA) where: Base-Base interactions energy: -507.984 where: short stacking energy: -259.834 Base-Backbone interact. energy: -2.352 local terms energy: -395.304907 where: bonds (distance) C4'-P energy: -100.494 bonds (distance) P-C4' energy: -109.893 flat angles C4'-P-C4' energy: -107.285 flat angles P-C4'-P energy: -38.792 tors. eta vs tors. theta energy: -38.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -571.566176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.566176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.566176 (E_RNA) where: Base-Base interactions energy: -250.486 where: short stacking energy: -160.015 Base-Backbone interact. energy: 1.808 local terms energy: -322.888084 where: bonds (distance) C4'-P energy: -94.162 bonds (distance) P-C4' energy: -76.411 flat angles C4'-P-C4' energy: -94.734 flat angles P-C4'-P energy: -61.677 tors. eta vs tors. theta energy: 4.096 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: 9 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -535.345970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.345970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.345970 (E_RNA) where: Base-Base interactions energy: -200.434 where: short stacking energy: -146.614 Base-Backbone interact. energy: -0.190 local terms energy: -334.721934 where: bonds (distance) C4'-P energy: -99.309 bonds (distance) P-C4' energy: -107.417 flat angles C4'-P-C4' energy: -96.584 flat angles P-C4'-P energy: -49.072 tors. eta vs tors. theta energy: 17.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2069.832478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.832478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.832478 (E_RNA) where: Base-Base interactions energy: -1432.726 where: short stacking energy: -580.769 Base-Backbone interact. energy: 0.797 local terms energy: -637.902979 where: bonds (distance) C4'-P energy: -115.450 bonds (distance) P-C4' energy: -117.342 flat angles C4'-P-C4' energy: -137.598 flat angles P-C4'-P energy: -85.903 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: 2, replica: 1 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2119.623666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.623666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.623666 (E_RNA) where: Base-Base interactions energy: -1469.909 where: short stacking energy: -615.776 Base-Backbone interact. energy: -4.975 local terms energy: -644.739646 where: bonds (distance) C4'-P energy: -104.640 bonds (distance) P-C4' energy: -127.504 flat angles C4'-P-C4' energy: -135.809 flat angles P-C4'-P energy: -85.682 tors. eta vs tors. theta energy: -191.104 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: 3, replica: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1903.684335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.684335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.684335 (E_RNA) where: Base-Base interactions energy: -1285.077 where: short stacking energy: -559.363 Base-Backbone interact. energy: -0.287 local terms energy: -618.320095 where: bonds (distance) C4'-P energy: -103.286 bonds (distance) P-C4' energy: -125.748 flat angles C4'-P-C4' energy: -124.638 flat angles P-C4'-P energy: -99.292 tors. eta vs tors. theta energy: -165.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1797.921676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.921676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.921676 (E_RNA) where: Base-Base interactions energy: -1208.948 where: short stacking energy: -491.626 Base-Backbone interact. energy: -1.049 local terms energy: -587.924058 where: bonds (distance) C4'-P energy: -122.569 bonds (distance) P-C4' energy: -118.921 flat angles C4'-P-C4' energy: -118.262 flat angles P-C4'-P energy: -82.507 tors. eta vs tors. theta energy: -145.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1571.573721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.573721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.573721 (E_RNA) where: Base-Base interactions energy: -1008.389 where: short stacking energy: -467.164 Base-Backbone interact. energy: 0.071 local terms energy: -563.255503 where: bonds (distance) C4'-P energy: -106.380 bonds (distance) P-C4' energy: -105.349 flat angles C4'-P-C4' energy: -126.292 flat angles P-C4'-P energy: -80.474 tors. eta vs tors. theta energy: -144.761 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: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1480.697598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.697598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.697598 (E_RNA) where: Base-Base interactions energy: -947.570 where: short stacking energy: -421.270 Base-Backbone interact. energy: 0.459 local terms energy: -533.586239 where: bonds (distance) C4'-P energy: -88.276 bonds (distance) P-C4' energy: -115.901 flat angles C4'-P-C4' energy: -132.473 flat angles P-C4'-P energy: -70.805 tors. eta vs tors. theta energy: -126.132 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: 250 Temperature: 1.200000 Total energy: -839.147606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.147606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.147606 (E_RNA) where: Base-Base interactions energy: -419.733 where: short stacking energy: -236.451 Base-Backbone interact. energy: -1.953 local terms energy: -417.461437 where: bonds (distance) C4'-P energy: -103.558 bonds (distance) P-C4' energy: -109.322 flat angles C4'-P-C4' energy: -115.235 flat angles P-C4'-P energy: -68.872 tors. eta vs tors. theta energy: -20.473 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: 10 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -944.219743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.219743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.219743 (E_RNA) where: Base-Base interactions energy: -543.103 where: short stacking energy: -260.510 Base-Backbone interact. energy: 0.644 local terms energy: -401.761122 where: bonds (distance) C4'-P energy: -106.659 bonds (distance) P-C4' energy: -108.723 flat angles C4'-P-C4' energy: -111.823 flat angles P-C4'-P energy: -52.123 tors. eta vs tors. theta energy: -22.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -566.362416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.362416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.362416 (E_RNA) where: Base-Base interactions energy: -246.680 where: short stacking energy: -183.566 Base-Backbone interact. energy: -1.109 local terms energy: -318.573320 where: bonds (distance) C4'-P energy: -92.090 bonds (distance) P-C4' energy: -106.421 flat angles C4'-P-C4' energy: -82.566 flat angles P-C4'-P energy: -39.411 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: 10, replica: 9 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -479.773160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.773160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.773160 (E_RNA) where: Base-Base interactions energy: -186.092 where: short stacking energy: -157.722 Base-Backbone interact. energy: 0.659 local terms energy: -294.340257 where: bonds (distance) C4'-P energy: -82.611 bonds (distance) P-C4' energy: -111.145 flat angles C4'-P-C4' energy: -66.191 flat angles P-C4'-P energy: -47.372 tors. eta vs tors. theta energy: 12.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2116.306653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.306653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.306653 (E_RNA) where: Base-Base interactions energy: -1447.165 where: short stacking energy: -615.573 Base-Backbone interact. energy: -2.278 local terms energy: -666.863743 where: bonds (distance) C4'-P energy: -119.378 bonds (distance) P-C4' energy: -126.424 flat angles C4'-P-C4' energy: -139.913 flat angles P-C4'-P energy: -91.661 tors. eta vs tors. theta energy: -189.488 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: 1 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2089.858862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.858862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.858862 (E_RNA) where: Base-Base interactions energy: -1426.315 where: short stacking energy: -588.870 Base-Backbone interact. energy: -2.734 local terms energy: -660.809465 where: bonds (distance) C4'-P energy: -117.266 bonds (distance) P-C4' energy: -130.868 flat angles C4'-P-C4' energy: -137.270 flat angles P-C4'-P energy: -97.678 tors. eta vs tors. theta energy: -177.728 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: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1892.595194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.595194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.595194 (E_RNA) where: Base-Base interactions energy: -1276.651 where: short stacking energy: -537.053 Base-Backbone interact. energy: -4.696 local terms energy: -611.248415 where: bonds (distance) C4'-P energy: -99.136 bonds (distance) P-C4' energy: -128.831 flat angles C4'-P-C4' energy: -132.669 flat angles P-C4'-P energy: -93.871 tors. eta vs tors. theta energy: -156.742 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: 4, replica: 3 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1787.836869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.836869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.836869 (E_RNA) where: Base-Base interactions energy: -1197.333 where: short stacking energy: -512.329 Base-Backbone interact. energy: -1.894 local terms energy: -588.610466 where: bonds (distance) C4'-P energy: -119.687 bonds (distance) P-C4' energy: -104.982 flat angles C4'-P-C4' energy: -133.263 flat angles P-C4'-P energy: -78.478 tors. eta vs tors. theta energy: -152.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1628.249015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.249015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.249015 (E_RNA) where: Base-Base interactions energy: -1071.890 where: short stacking energy: -467.718 Base-Backbone interact. energy: 0.505 local terms energy: -556.863857 where: bonds (distance) C4'-P energy: -106.876 bonds (distance) P-C4' energy: -118.099 flat angles C4'-P-C4' energy: -118.162 flat angles P-C4'-P energy: -72.894 tors. eta vs tors. theta energy: -140.832 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: 6, replica: 4 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1484.263727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.263727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.263727 (E_RNA) where: Base-Base interactions energy: -977.775 where: short stacking energy: -426.839 Base-Backbone interact. energy: 0.946 local terms energy: -507.434849 where: bonds (distance) C4'-P energy: -90.128 bonds (distance) P-C4' energy: -102.975 flat angles C4'-P-C4' energy: -124.144 flat angles P-C4'-P energy: -79.591 tors. eta vs tors. theta energy: -110.597 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: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -957.768568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.768568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.768568 (E_RNA) where: Base-Base interactions energy: -553.134 where: short stacking energy: -264.048 Base-Backbone interact. energy: -0.345 local terms energy: -404.289729 where: bonds (distance) C4'-P energy: -103.479 bonds (distance) P-C4' energy: -119.407 flat angles C4'-P-C4' energy: -100.356 flat angles P-C4'-P energy: -53.587 tors. eta vs tors. theta energy: -27.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -954.212247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.212247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.212247 (E_RNA) where: Base-Base interactions energy: -580.081 where: short stacking energy: -267.405 Base-Backbone interact. energy: 0.246 local terms energy: -374.377069 where: bonds (distance) C4'-P energy: -84.929 bonds (distance) P-C4' energy: -97.793 flat angles C4'-P-C4' energy: -107.383 flat angles P-C4'-P energy: -50.541 tors. eta vs tors. theta energy: -33.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -572.679369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.679369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.679369 (E_RNA) where: Base-Base interactions energy: -237.265 where: short stacking energy: -151.174 Base-Backbone interact. energy: 5.580 local terms energy: -340.993710 where: bonds (distance) C4'-P energy: -107.308 bonds (distance) P-C4' energy: -114.719 flat angles C4'-P-C4' energy: -87.490 flat angles P-C4'-P energy: -51.834 tors. eta vs tors. theta energy: 20.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -484.944007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.944007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.944007 (E_RNA) where: Base-Base interactions energy: -170.842 where: short stacking energy: -143.643 Base-Backbone interact. energy: -1.094 local terms energy: -313.008146 where: bonds (distance) C4'-P energy: -111.367 bonds (distance) P-C4' energy: -86.928 flat angles C4'-P-C4' energy: -64.932 flat angles P-C4'-P energy: -69.972 tors. eta vs tors. theta energy: 20.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2097.393483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.393483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.393483 (E_RNA) where: Base-Base interactions energy: -1449.606 where: short stacking energy: -587.481 Base-Backbone interact. energy: -2.104 local terms energy: -645.683282 where: bonds (distance) C4'-P energy: -118.387 bonds (distance) P-C4' energy: -117.656 flat angles C4'-P-C4' energy: -151.125 flat angles P-C4'-P energy: -86.069 tors. eta vs tors. theta energy: -172.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2076.923665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.923665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.923665 (E_RNA) where: Base-Base interactions energy: -1405.076 where: short stacking energy: -579.044 Base-Backbone interact. energy: 1.140 local terms energy: -672.987756 where: bonds (distance) C4'-P energy: -120.543 bonds (distance) P-C4' energy: -128.916 flat angles C4'-P-C4' energy: -140.035 flat angles P-C4'-P energy: -100.577 tors. eta vs tors. theta energy: -182.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1914.560297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.560297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.560297 (E_RNA) where: Base-Base interactions energy: -1312.166 where: short stacking energy: -528.830 Base-Backbone interact. energy: 0.124 local terms energy: -602.518480 where: bonds (distance) C4'-P energy: -116.574 bonds (distance) P-C4' energy: -110.535 flat angles C4'-P-C4' energy: -117.412 flat angles P-C4'-P energy: -93.719 tors. eta vs tors. theta energy: -164.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1800.394625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.394625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.394625 (E_RNA) where: Base-Base interactions energy: -1186.508 where: short stacking energy: -504.877 Base-Backbone interact. energy: -2.704 local terms energy: -611.182846 where: bonds (distance) C4'-P energy: -113.879 bonds (distance) P-C4' energy: -120.966 flat angles C4'-P-C4' energy: -145.756 flat angles P-C4'-P energy: -94.199 tors. eta vs tors. theta energy: -136.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1607.025577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.025577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.025577 (E_RNA) where: Base-Base interactions energy: -1043.757 where: short stacking energy: -474.734 Base-Backbone interact. energy: -3.021 local terms energy: -560.247821 where: bonds (distance) C4'-P energy: -109.621 bonds (distance) P-C4' energy: -112.116 flat angles C4'-P-C4' energy: -125.301 flat angles P-C4'-P energy: -77.417 tors. eta vs tors. theta energy: -135.793 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: 4 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1432.515556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.515556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.515556 (E_RNA) where: Base-Base interactions energy: -933.052 where: short stacking energy: -419.523 Base-Backbone interact. energy: -0.041 local terms energy: -499.422676 where: bonds (distance) C4'-P energy: -104.982 bonds (distance) P-C4' energy: -108.982 flat angles C4'-P-C4' energy: -119.021 flat angles P-C4'-P energy: -64.204 tors. eta vs tors. theta energy: -102.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1042.093113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.093113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.093113 (E_RNA) where: Base-Base interactions energy: -636.259 where: short stacking energy: -322.291 Base-Backbone interact. energy: 0.458 local terms energy: -406.292653 where: bonds (distance) C4'-P energy: -109.554 bonds (distance) P-C4' energy: -97.061 flat angles C4'-P-C4' energy: -90.705 flat angles P-C4'-P energy: -64.537 tors. eta vs tors. theta energy: -44.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -898.708773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.708773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.708773 (E_RNA) where: Base-Base interactions energy: -532.687 where: short stacking energy: -249.968 Base-Backbone interact. energy: 6.803 local terms energy: -372.825641 where: bonds (distance) C4'-P energy: -107.585 bonds (distance) P-C4' energy: -93.372 flat angles C4'-P-C4' energy: -85.094 flat angles P-C4'-P energy: -54.184 tors. eta vs tors. theta energy: -32.592 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: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -598.103660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.103660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.103660 (E_RNA) where: Base-Base interactions energy: -265.739 where: short stacking energy: -166.076 Base-Backbone interact. energy: -3.100 local terms energy: -329.263829 where: bonds (distance) C4'-P energy: -102.899 bonds (distance) P-C4' energy: -101.310 flat angles C4'-P-C4' energy: -92.973 flat angles P-C4'-P energy: -58.692 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: 10, replica: 9 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -480.722361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.722361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.722361 (E_RNA) where: Base-Base interactions energy: -154.093 where: short stacking energy: -138.123 Base-Backbone interact. energy: -4.097 local terms energy: -322.531932 where: bonds (distance) C4'-P energy: -97.296 bonds (distance) P-C4' energy: -98.335 flat angles C4'-P-C4' energy: -75.846 flat angles P-C4'-P energy: -62.735 tors. eta vs tors. theta energy: 11.680 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: 7 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2087.512868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.512868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.512868 (E_RNA) where: Base-Base interactions energy: -1436.071 where: short stacking energy: -568.940 Base-Backbone interact. energy: -5.094 local terms energy: -646.347794 where: bonds (distance) C4'-P energy: -125.414 bonds (distance) P-C4' energy: -122.581 flat angles C4'-P-C4' energy: -141.214 flat angles P-C4'-P energy: -96.542 tors. eta vs tors. theta energy: -160.596 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: 1 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2093.434779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.434779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.434779 (E_RNA) where: Base-Base interactions energy: -1426.571 where: short stacking energy: -617.706 Base-Backbone interact. energy: -0.387 local terms energy: -666.477229 where: bonds (distance) C4'-P energy: -120.899 bonds (distance) P-C4' energy: -123.340 flat angles C4'-P-C4' energy: -144.017 flat angles P-C4'-P energy: -88.725 tors. eta vs tors. theta energy: -189.496 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: 3 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1925.062046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.062046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.062046 (E_RNA) where: Base-Base interactions energy: -1310.907 where: short stacking energy: -544.440 Base-Backbone interact. energy: -3.006 local terms energy: -611.149469 where: bonds (distance) C4'-P energy: -104.695 bonds (distance) P-C4' energy: -128.346 flat angles C4'-P-C4' energy: -133.958 flat angles P-C4'-P energy: -82.172 tors. eta vs tors. theta energy: -161.979 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: 5 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1812.578702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.578702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.578702 (E_RNA) where: Base-Base interactions energy: -1212.056 where: short stacking energy: -510.051 Base-Backbone interact. energy: -3.319 local terms energy: -597.204490 where: bonds (distance) C4'-P energy: -120.735 bonds (distance) P-C4' energy: -116.659 flat angles C4'-P-C4' energy: -119.233 flat angles P-C4'-P energy: -84.272 tors. eta vs tors. theta energy: -156.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1626.406230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.406230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.406230 (E_RNA) where: Base-Base interactions energy: -1071.853 where: short stacking energy: -489.035 Base-Backbone interact. energy: -2.302 local terms energy: -552.250958 where: bonds (distance) C4'-P energy: -115.673 bonds (distance) P-C4' energy: -95.314 flat angles C4'-P-C4' energy: -121.477 flat angles P-C4'-P energy: -77.238 tors. eta vs tors. theta energy: -142.550 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: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1459.839004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.839004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.839004 (E_RNA) where: Base-Base interactions energy: -923.523 where: short stacking energy: -410.033 Base-Backbone interact. energy: -1.189 local terms energy: -535.126586 where: bonds (distance) C4'-P energy: -119.181 bonds (distance) P-C4' energy: -104.774 flat angles C4'-P-C4' energy: -128.573 flat angles P-C4'-P energy: -76.586 tors. eta vs tors. theta energy: -106.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1085.217165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.217165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.217165 (E_RNA) where: Base-Base interactions energy: -633.071 where: short stacking energy: -292.855 Base-Backbone interact. energy: -4.177 local terms energy: -447.968630 where: bonds (distance) C4'-P energy: -110.697 bonds (distance) P-C4' energy: -107.415 flat angles C4'-P-C4' energy: -114.972 flat angles P-C4'-P energy: -66.071 tors. eta vs tors. theta energy: -48.815 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: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -940.184645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.184645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.184645 (E_RNA) where: Base-Base interactions energy: -537.862 where: short stacking energy: -292.934 Base-Backbone interact. energy: 4.799 local terms energy: -407.121087 where: bonds (distance) C4'-P energy: -100.149 bonds (distance) P-C4' energy: -99.024 flat angles C4'-P-C4' energy: -97.029 flat angles P-C4'-P energy: -65.999 tors. eta vs tors. theta energy: -44.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -609.731247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.731247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.731247 (E_RNA) where: Base-Base interactions energy: -267.271 where: short stacking energy: -174.649 Base-Backbone interact. energy: 4.466 local terms energy: -346.925956 where: bonds (distance) C4'-P energy: -104.050 bonds (distance) P-C4' energy: -107.662 flat angles C4'-P-C4' energy: -86.430 flat angles P-C4'-P energy: -53.890 tors. eta vs tors. theta energy: 5.107 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: 9 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -480.792973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.792973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.792973 (E_RNA) where: Base-Base interactions energy: -176.157 where: short stacking energy: -135.122 Base-Backbone interact. energy: 1.354 local terms energy: -305.990104 where: bonds (distance) C4'-P energy: -106.049 bonds (distance) P-C4' energy: -103.608 flat angles C4'-P-C4' energy: -71.996 flat angles P-C4'-P energy: -48.365 tors. eta vs tors. theta energy: 24.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2124.656311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.656311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.656311 (E_RNA) where: Base-Base interactions energy: -1469.788 where: short stacking energy: -609.435 Base-Backbone interact. energy: -3.799 local terms energy: -651.069589 where: bonds (distance) C4'-P energy: -120.547 bonds (distance) P-C4' energy: -116.573 flat angles C4'-P-C4' energy: -131.727 flat angles P-C4'-P energy: -100.617 tors. eta vs tors. theta energy: -181.606 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: 1 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2071.975319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.975319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.975319 (E_RNA) where: Base-Base interactions energy: -1433.600 where: short stacking energy: -605.444 Base-Backbone interact. energy: -1.046 local terms energy: -637.329152 where: bonds (distance) C4'-P energy: -113.166 bonds (distance) P-C4' energy: -121.368 flat angles C4'-P-C4' energy: -137.015 flat angles P-C4'-P energy: -93.057 tors. eta vs tors. theta energy: -172.723 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: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1943.261953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.261953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.261953 (E_RNA) where: Base-Base interactions energy: -1348.030 where: short stacking energy: -570.521 Base-Backbone interact. energy: -2.120 local terms energy: -593.112020 where: bonds (distance) C4'-P energy: -104.438 bonds (distance) P-C4' energy: -112.443 flat angles C4'-P-C4' energy: -124.542 flat angles P-C4'-P energy: -84.350 tors. eta vs tors. theta energy: -167.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1804.199617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.199617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.199617 (E_RNA) where: Base-Base interactions energy: -1231.985 where: short stacking energy: -498.989 Base-Backbone interact. energy: 2.317 local terms energy: -574.532042 where: bonds (distance) C4'-P energy: -121.237 bonds (distance) P-C4' energy: -109.958 flat angles C4'-P-C4' energy: -121.842 flat angles P-C4'-P energy: -74.548 tors. eta vs tors. theta energy: -146.947 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: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1511.722965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.722965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.722965 (E_RNA) where: Base-Base interactions energy: -1002.415 where: short stacking energy: -427.206 Base-Backbone interact. energy: 3.605 local terms energy: -512.912660 where: bonds (distance) C4'-P energy: -81.895 bonds (distance) P-C4' energy: -111.779 flat angles C4'-P-C4' energy: -128.778 flat angles P-C4'-P energy: -83.000 tors. eta vs tors. theta energy: -107.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1428.270912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.270912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.270912 (E_RNA) where: Base-Base interactions energy: -920.842 where: short stacking energy: -390.070 Base-Backbone interact. energy: -0.683 local terms energy: -506.745498 where: bonds (distance) C4'-P energy: -108.758 bonds (distance) P-C4' energy: -98.804 flat angles C4'-P-C4' energy: -120.227 flat angles P-C4'-P energy: -76.022 tors. eta vs tors. theta energy: -102.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1113.746597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.746597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.746597 (E_RNA) where: Base-Base interactions energy: -702.780 where: short stacking energy: -317.830 Base-Backbone interact. energy: -1.209 local terms energy: -409.757497 where: bonds (distance) C4'-P energy: -99.328 bonds (distance) P-C4' energy: -88.550 flat angles C4'-P-C4' energy: -98.060 flat angles P-C4'-P energy: -52.445 tors. eta vs tors. theta energy: -71.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -911.124804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.124804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.124804 (E_RNA) where: Base-Base interactions energy: -519.070 where: short stacking energy: -240.669 Base-Backbone interact. energy: 0.513 local terms energy: -392.567195 where: bonds (distance) C4'-P energy: -94.170 bonds (distance) P-C4' energy: -104.030 flat angles C4'-P-C4' energy: -98.200 flat angles P-C4'-P energy: -77.021 tors. eta vs tors. theta energy: -19.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -554.770503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.770503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.770503 (E_RNA) where: Base-Base interactions energy: -209.196 where: short stacking energy: -143.480 Base-Backbone interact. energy: 7.278 local terms energy: -352.852553 where: bonds (distance) C4'-P energy: -103.144 bonds (distance) P-C4' energy: -100.705 flat angles C4'-P-C4' energy: -91.292 flat angles P-C4'-P energy: -58.199 tors. eta vs tors. theta energy: 0.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -479.675115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.675115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.675115 (E_RNA) where: Base-Base interactions energy: -166.230 where: short stacking energy: -114.036 Base-Backbone interact. energy: 2.783 local terms energy: -316.228544 where: bonds (distance) C4'-P energy: -102.479 bonds (distance) P-C4' energy: -98.641 flat angles C4'-P-C4' energy: -89.057 flat angles P-C4'-P energy: -53.908 tors. eta vs tors. theta energy: 27.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2091.427611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.427611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.427611 (E_RNA) where: Base-Base interactions energy: -1437.541 where: short stacking energy: -578.403 Base-Backbone interact. energy: -1.029 local terms energy: -652.857757 where: bonds (distance) C4'-P energy: -122.851 bonds (distance) P-C4' energy: -117.702 flat angles C4'-P-C4' energy: -138.805 flat angles P-C4'-P energy: -94.667 tors. eta vs tors. theta energy: -178.833 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: 2, replica: 1 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2075.186939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.186939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.186939 (E_RNA) where: Base-Base interactions energy: -1441.277 where: short stacking energy: -608.450 Base-Backbone interact. energy: 3.955 local terms energy: -637.865152 where: bonds (distance) C4'-P energy: -120.368 bonds (distance) P-C4' energy: -120.732 flat angles C4'-P-C4' energy: -120.538 flat angles P-C4'-P energy: -95.088 tors. eta vs tors. theta energy: -181.140 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: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1946.988047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.988047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.988047 (E_RNA) where: Base-Base interactions energy: -1310.407 where: short stacking energy: -547.630 Base-Backbone interact. energy: -2.112 local terms energy: -634.469231 where: bonds (distance) C4'-P energy: -121.607 bonds (distance) P-C4' energy: -118.316 flat angles C4'-P-C4' energy: -133.069 flat angles P-C4'-P energy: -87.599 tors. eta vs tors. theta energy: -173.879 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: 4, replica: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1795.748796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.748796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.748796 (E_RNA) where: Base-Base interactions energy: -1212.760 where: short stacking energy: -509.126 Base-Backbone interact. energy: -0.773 local terms energy: -582.216038 where: bonds (distance) C4'-P energy: -114.749 bonds (distance) P-C4' energy: -115.153 flat angles C4'-P-C4' energy: -125.902 flat angles P-C4'-P energy: -76.030 tors. eta vs tors. theta energy: -150.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1571.831374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.831374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.831374 (E_RNA) where: Base-Base interactions energy: -1003.863 where: short stacking energy: -464.932 Base-Backbone interact. energy: -0.542 local terms energy: -567.426478 where: bonds (distance) C4'-P energy: -112.467 bonds (distance) P-C4' energy: -109.389 flat angles C4'-P-C4' energy: -118.783 flat angles P-C4'-P energy: -86.871 tors. eta vs tors. theta energy: -139.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1459.609200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.609200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.609200 (E_RNA) where: Base-Base interactions energy: -928.145 where: short stacking energy: -430.677 Base-Backbone interact. energy: 0.363 local terms energy: -531.826800 where: bonds (distance) C4'-P energy: -109.468 bonds (distance) P-C4' energy: -115.758 flat angles C4'-P-C4' energy: -112.806 flat angles P-C4'-P energy: -69.121 tors. eta vs tors. theta energy: -124.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1139.682024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.682024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.682024 (E_RNA) where: Base-Base interactions energy: -677.774 where: short stacking energy: -305.748 Base-Backbone interact. energy: -1.877 local terms energy: -460.031087 where: bonds (distance) C4'-P energy: -111.467 bonds (distance) P-C4' energy: -99.899 flat angles C4'-P-C4' energy: -114.457 flat angles P-C4'-P energy: -58.561 tors. eta vs tors. theta energy: -75.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -922.535306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.535306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.535306 (E_RNA) where: Base-Base interactions energy: -520.259 where: short stacking energy: -245.986 Base-Backbone interact. energy: -1.972 local terms energy: -400.304332 where: bonds (distance) C4'-P energy: -95.505 bonds (distance) P-C4' energy: -107.305 flat angles C4'-P-C4' energy: -91.911 flat angles P-C4'-P energy: -64.645 tors. eta vs tors. theta energy: -40.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -590.718575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.718575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.718575 (E_RNA) where: Base-Base interactions energy: -277.752 where: short stacking energy: -158.749 Base-Backbone interact. energy: 10.600 local terms energy: -323.566839 where: bonds (distance) C4'-P energy: -80.802 bonds (distance) P-C4' energy: -117.419 flat angles C4'-P-C4' energy: -96.675 flat angles P-C4'-P energy: -41.666 tors. eta vs tors. theta energy: 12.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -499.425545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.425545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.425545 (E_RNA) where: Base-Base interactions energy: -198.487 where: short stacking energy: -127.868 Base-Backbone interact. energy: -1.674 local terms energy: -299.264710 where: bonds (distance) C4'-P energy: -90.450 bonds (distance) P-C4' energy: -104.358 flat angles C4'-P-C4' energy: -80.012 flat angles P-C4'-P energy: -40.935 tors. eta vs tors. theta energy: 16.492 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: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2099.379127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.379127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.379127 (E_RNA) where: Base-Base interactions energy: -1436.804 where: short stacking energy: -613.893 Base-Backbone interact. energy: -1.906 local terms energy: -660.668848 where: bonds (distance) C4'-P energy: -120.365 bonds (distance) P-C4' energy: -113.988 flat angles C4'-P-C4' energy: -139.589 flat angles P-C4'-P energy: -95.184 tors. eta vs tors. theta energy: -191.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2065.558164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.558164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.558164 (E_RNA) where: Base-Base interactions energy: -1410.010 where: short stacking energy: -587.465 Base-Backbone interact. energy: 2.619 local terms energy: -658.167649 where: bonds (distance) C4'-P energy: -124.790 bonds (distance) P-C4' energy: -123.669 flat angles C4'-P-C4' energy: -143.650 flat angles P-C4'-P energy: -86.005 tors. eta vs tors. theta energy: -180.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1921.917430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.917430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.917430 (E_RNA) where: Base-Base interactions energy: -1304.078 where: short stacking energy: -558.457 Base-Backbone interact. energy: -2.173 local terms energy: -615.666762 where: bonds (distance) C4'-P energy: -112.447 bonds (distance) P-C4' energy: -109.006 flat angles C4'-P-C4' energy: -140.392 flat angles P-C4'-P energy: -88.505 tors. eta vs tors. theta energy: -165.317 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: 3 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1879.591706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.591706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.591706 (E_RNA) where: Base-Base interactions energy: -1270.574 where: short stacking energy: -506.631 Base-Backbone interact. energy: -1.005 local terms energy: -608.013145 where: bonds (distance) C4'-P energy: -122.503 bonds (distance) P-C4' energy: -115.046 flat angles C4'-P-C4' energy: -123.959 flat angles P-C4'-P energy: -82.056 tors. eta vs tors. theta energy: -164.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1570.285776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.285776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.285776 (E_RNA) where: Base-Base interactions energy: -1033.864 where: short stacking energy: -441.959 Base-Backbone interact. energy: -0.393 local terms energy: -536.028594 where: bonds (distance) C4'-P energy: -113.923 bonds (distance) P-C4' energy: -105.655 flat angles C4'-P-C4' energy: -122.837 flat angles P-C4'-P energy: -64.723 tors. eta vs tors. theta energy: -128.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1501.234285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.234285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.234285 (E_RNA) where: Base-Base interactions energy: -1006.353 where: short stacking energy: -469.230 Base-Backbone interact. energy: -1.670 local terms energy: -493.211637 where: bonds (distance) C4'-P energy: -85.110 bonds (distance) P-C4' energy: -100.388 flat angles C4'-P-C4' energy: -116.904 flat angles P-C4'-P energy: -59.308 tors. eta vs tors. theta energy: -131.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1091.200496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.200496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.200496 (E_RNA) where: Base-Base interactions energy: -668.913 where: short stacking energy: -312.856 Base-Backbone interact. energy: 3.516 local terms energy: -425.803432 where: bonds (distance) C4'-P energy: -102.255 bonds (distance) P-C4' energy: -99.371 flat angles C4'-P-C4' energy: -101.303 flat angles P-C4'-P energy: -55.745 tors. eta vs tors. theta energy: -67.130 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: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -965.533734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.533734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.533734 (E_RNA) where: Base-Base interactions energy: -571.384 where: short stacking energy: -264.719 Base-Backbone interact. energy: 10.274 local terms energy: -404.422837 where: bonds (distance) C4'-P energy: -112.457 bonds (distance) P-C4' energy: -96.738 flat angles C4'-P-C4' energy: -78.713 flat angles P-C4'-P energy: -77.552 tors. eta vs tors. theta energy: -38.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -662.475462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.475462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.475462 (E_RNA) where: Base-Base interactions energy: -305.298 where: short stacking energy: -166.005 Base-Backbone interact. energy: -2.460 local terms energy: -354.717783 where: bonds (distance) C4'-P energy: -95.974 bonds (distance) P-C4' energy: -106.827 flat angles C4'-P-C4' energy: -106.667 flat angles P-C4'-P energy: -56.472 tors. eta vs tors. theta energy: 11.222 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: 10, replica: 9 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -489.357714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.357714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.357714 (E_RNA) where: Base-Base interactions energy: -188.324 where: short stacking energy: -116.847 Base-Backbone interact. energy: -0.188 local terms energy: -300.845783 where: bonds (distance) C4'-P energy: -101.981 bonds (distance) P-C4' energy: -102.966 flat angles C4'-P-C4' energy: -67.973 flat angles P-C4'-P energy: -38.370 tors. eta vs tors. theta energy: 10.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2111.130184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.130184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.130184 (E_RNA) where: Base-Base interactions energy: -1463.934 where: short stacking energy: -612.072 Base-Backbone interact. energy: -2.691 local terms energy: -644.505112 where: bonds (distance) C4'-P energy: -111.117 bonds (distance) P-C4' energy: -120.264 flat angles C4'-P-C4' energy: -131.663 flat angles P-C4'-P energy: -98.323 tors. eta vs tors. theta energy: -183.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2071.275943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.275943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.275943 (E_RNA) where: Base-Base interactions energy: -1433.634 where: short stacking energy: -591.809 Base-Backbone interact. energy: -0.459 local terms energy: -637.183091 where: bonds (distance) C4'-P energy: -129.500 bonds (distance) P-C4' energy: -106.095 flat angles C4'-P-C4' energy: -124.560 flat angles P-C4'-P energy: -103.727 tors. eta vs tors. theta energy: -173.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1891.499555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.499555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.499555 (E_RNA) where: Base-Base interactions energy: -1286.605 where: short stacking energy: -567.188 Base-Backbone interact. energy: -2.662 local terms energy: -602.231813 where: bonds (distance) C4'-P energy: -112.381 bonds (distance) P-C4' energy: -120.935 flat angles C4'-P-C4' energy: -130.226 flat angles P-C4'-P energy: -78.222 tors. eta vs tors. theta energy: -160.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1856.057889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.057889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.057889 (E_RNA) where: Base-Base interactions energy: -1256.588 where: short stacking energy: -531.260 Base-Backbone interact. energy: -2.194 local terms energy: -597.276034 where: bonds (distance) C4'-P energy: -98.859 bonds (distance) P-C4' energy: -113.404 flat angles C4'-P-C4' energy: -127.117 flat angles P-C4'-P energy: -87.155 tors. eta vs tors. theta energy: -170.741 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: 257 Temperature: 1.100000 Total energy: -1588.422639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.422639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.422639 (E_RNA) where: Base-Base interactions energy: -1041.037 where: short stacking energy: -485.994 Base-Backbone interact. energy: -2.596 local terms energy: -544.789664 where: bonds (distance) C4'-P energy: -102.078 bonds (distance) P-C4' energy: -109.238 flat angles C4'-P-C4' energy: -126.807 flat angles P-C4'-P energy: -73.569 tors. eta vs tors. theta energy: -133.098 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: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1496.293940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.293940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.293940 (E_RNA) where: Base-Base interactions energy: -961.185 where: short stacking energy: -426.929 Base-Backbone interact. energy: 1.053 local terms energy: -536.161094 where: bonds (distance) C4'-P energy: -102.508 bonds (distance) P-C4' energy: -107.659 flat angles C4'-P-C4' energy: -116.008 flat angles P-C4'-P energy: -69.431 tors. eta vs tors. theta energy: -140.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1067.563438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.563438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.563438 (E_RNA) where: Base-Base interactions energy: -631.637 where: short stacking energy: -310.155 Base-Backbone interact. energy: -1.322 local terms energy: -434.604853 where: bonds (distance) C4'-P energy: -114.442 bonds (distance) P-C4' energy: -101.153 flat angles C4'-P-C4' energy: -92.929 flat angles P-C4'-P energy: -68.902 tors. eta vs tors. theta energy: -57.179 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: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -919.738209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.738209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.738209 (E_RNA) where: Base-Base interactions energy: -540.157 where: short stacking energy: -269.614 Base-Backbone interact. energy: -0.558 local terms energy: -379.023714 where: bonds (distance) C4'-P energy: -106.485 bonds (distance) P-C4' energy: -81.372 flat angles C4'-P-C4' energy: -100.282 flat angles P-C4'-P energy: -65.135 tors. eta vs tors. theta energy: -25.749 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: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -692.137619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.137619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.137619 (E_RNA) where: Base-Base interactions energy: -336.124 where: short stacking energy: -206.326 Base-Backbone interact. energy: -0.023 local terms energy: -355.990571 where: bonds (distance) C4'-P energy: -102.384 bonds (distance) P-C4' energy: -101.208 flat angles C4'-P-C4' energy: -90.656 flat angles P-C4'-P energy: -70.778 tors. eta vs tors. theta energy: 9.035 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: 9 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -460.805399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.805399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.805399 (E_RNA) where: Base-Base interactions energy: -170.649 where: short stacking energy: -112.291 Base-Backbone interact. energy: -1.927 local terms energy: -288.229058 where: bonds (distance) C4'-P energy: -105.725 bonds (distance) P-C4' energy: -110.195 flat angles C4'-P-C4' energy: -80.447 flat angles P-C4'-P energy: -32.866 tors. eta vs tors. theta energy: 41.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2086.242183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.242183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.242183 (E_RNA) where: Base-Base interactions energy: -1430.372 where: short stacking energy: -592.900 Base-Backbone interact. energy: -3.150 local terms energy: -652.720566 where: bonds (distance) C4'-P energy: -114.882 bonds (distance) P-C4' energy: -133.206 flat angles C4'-P-C4' energy: -133.313 flat angles P-C4'-P energy: -91.977 tors. eta vs tors. theta energy: -179.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2061.909218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.909218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.909218 (E_RNA) where: Base-Base interactions energy: -1426.237 where: short stacking energy: -628.347 Base-Backbone interact. energy: -4.610 local terms energy: -631.062412 where: bonds (distance) C4'-P energy: -116.667 bonds (distance) P-C4' energy: -108.024 flat angles C4'-P-C4' energy: -135.331 flat angles P-C4'-P energy: -91.206 tors. eta vs tors. theta energy: -179.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1897.892730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.892730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.892730 (E_RNA) where: Base-Base interactions energy: -1277.396 where: short stacking energy: -549.897 Base-Backbone interact. energy: -4.151 local terms energy: -616.345190 where: bonds (distance) C4'-P energy: -109.802 bonds (distance) P-C4' energy: -116.145 flat angles C4'-P-C4' energy: -145.566 flat angles P-C4'-P energy: -78.772 tors. eta vs tors. theta energy: -166.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1849.044632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.044632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.044632 (E_RNA) where: Base-Base interactions energy: -1256.355 where: short stacking energy: -501.977 Base-Backbone interact. energy: -2.434 local terms energy: -590.255134 where: bonds (distance) C4'-P energy: -111.087 bonds (distance) P-C4' energy: -109.962 flat angles C4'-P-C4' energy: -124.693 flat angles P-C4'-P energy: -88.503 tors. eta vs tors. theta energy: -156.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1562.459364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.459364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.459364 (E_RNA) where: Base-Base interactions energy: -1031.940 where: short stacking energy: -454.622 Base-Backbone interact. energy: -2.131 local terms energy: -528.388581 where: bonds (distance) C4'-P energy: -101.449 bonds (distance) P-C4' energy: -122.493 flat angles C4'-P-C4' energy: -107.890 flat angles P-C4'-P energy: -78.261 tors. eta vs tors. theta energy: -118.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1516.944075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.944075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.944075 (E_RNA) where: Base-Base interactions energy: -990.849 where: short stacking energy: -466.483 Base-Backbone interact. energy: 1.282 local terms energy: -527.377456 where: bonds (distance) C4'-P energy: -96.841 bonds (distance) P-C4' energy: -96.929 flat angles C4'-P-C4' energy: -119.052 flat angles P-C4'-P energy: -86.631 tors. eta vs tors. theta energy: -127.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1010.422072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.422072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.422072 (E_RNA) where: Base-Base interactions energy: -604.793 where: short stacking energy: -302.757 Base-Backbone interact. energy: -4.423 local terms energy: -401.206356 where: bonds (distance) C4'-P energy: -100.818 bonds (distance) P-C4' energy: -109.849 flat angles C4'-P-C4' energy: -79.666 flat angles P-C4'-P energy: -55.723 tors. eta vs tors. theta energy: -55.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -976.493620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.493620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.493620 (E_RNA) where: Base-Base interactions energy: -568.794 where: short stacking energy: -272.265 Base-Backbone interact. energy: -2.003 local terms energy: -405.697271 where: bonds (distance) C4'-P energy: -102.437 bonds (distance) P-C4' energy: -106.668 flat angles C4'-P-C4' energy: -94.759 flat angles P-C4'-P energy: -58.431 tors. eta vs tors. theta energy: -43.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -628.959408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.959408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.959408 (E_RNA) where: Base-Base interactions energy: -307.237 where: short stacking energy: -196.225 Base-Backbone interact. energy: -3.188 local terms energy: -318.533735 where: bonds (distance) C4'-P energy: -95.158 bonds (distance) P-C4' energy: -100.001 flat angles C4'-P-C4' energy: -87.467 flat angles P-C4'-P energy: -39.783 tors. eta vs tors. theta energy: 3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -468.870585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.870585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.870585 (E_RNA) where: Base-Base interactions energy: -163.346 where: short stacking energy: -132.286 Base-Backbone interact. energy: -1.001 local terms energy: -304.524069 where: bonds (distance) C4'-P energy: -91.619 bonds (distance) P-C4' energy: -86.201 flat angles C4'-P-C4' energy: -80.194 flat angles P-C4'-P energy: -67.205 tors. eta vs tors. theta energy: 20.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2091.101718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.101718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.101718 (E_RNA) where: Base-Base interactions energy: -1432.838 where: short stacking energy: -577.385 Base-Backbone interact. energy: -2.348 local terms energy: -655.915345 where: bonds (distance) C4'-P energy: -117.545 bonds (distance) P-C4' energy: -121.160 flat angles C4'-P-C4' energy: -141.035 flat angles P-C4'-P energy: -95.906 tors. eta vs tors. theta energy: -180.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2033.500951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.500951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.500951 (E_RNA) where: Base-Base interactions energy: -1394.319 where: short stacking energy: -587.253 Base-Backbone interact. energy: -3.638 local terms energy: -635.544218 where: bonds (distance) C4'-P energy: -106.521 bonds (distance) P-C4' energy: -118.694 flat angles C4'-P-C4' energy: -136.015 flat angles P-C4'-P energy: -93.846 tors. eta vs tors. theta energy: -180.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1925.039465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.039465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.039465 (E_RNA) where: Base-Base interactions energy: -1299.483 where: short stacking energy: -589.958 Base-Backbone interact. energy: -1.530 local terms energy: -624.026214 where: bonds (distance) C4'-P energy: -115.458 bonds (distance) P-C4' energy: -127.781 flat angles C4'-P-C4' energy: -130.838 flat angles P-C4'-P energy: -81.471 tors. eta vs tors. theta energy: -168.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1824.492032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.492032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.492032 (E_RNA) where: Base-Base interactions energy: -1237.394 where: short stacking energy: -531.249 Base-Backbone interact. energy: -0.347 local terms energy: -586.750536 where: bonds (distance) C4'-P energy: -107.936 bonds (distance) P-C4' energy: -132.126 flat angles C4'-P-C4' energy: -113.743 flat angles P-C4'-P energy: -78.432 tors. eta vs tors. theta energy: -154.513 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: 4 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1642.770915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.770915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.770915 (E_RNA) where: Base-Base interactions energy: -1048.349 where: short stacking energy: -473.597 Base-Backbone interact. energy: -0.089 local terms energy: -594.333191 where: bonds (distance) C4'-P energy: -123.909 bonds (distance) P-C4' energy: -115.573 flat angles C4'-P-C4' energy: -124.974 flat angles P-C4'-P energy: -83.477 tors. eta vs tors. theta energy: -146.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1488.878984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.878984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.878984 (E_RNA) where: Base-Base interactions energy: -970.725 where: short stacking energy: -428.620 Base-Backbone interact. energy: -2.647 local terms energy: -515.506333 where: bonds (distance) C4'-P energy: -94.274 bonds (distance) P-C4' energy: -102.393 flat angles C4'-P-C4' energy: -119.606 flat angles P-C4'-P energy: -70.619 tors. eta vs tors. theta energy: -128.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1041.210431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.210431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.210431 (E_RNA) where: Base-Base interactions energy: -622.933 where: short stacking energy: -304.705 Base-Backbone interact. energy: -3.048 local terms energy: -415.228876 where: bonds (distance) C4'-P energy: -104.998 bonds (distance) P-C4' energy: -100.534 flat angles C4'-P-C4' energy: -95.176 flat angles P-C4'-P energy: -60.021 tors. eta vs tors. theta energy: -54.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -891.223380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.223380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.223380 (E_RNA) where: Base-Base interactions energy: -499.213 where: short stacking energy: -242.562 Base-Backbone interact. energy: -4.856 local terms energy: -387.153612 where: bonds (distance) C4'-P energy: -85.781 bonds (distance) P-C4' energy: -107.784 flat angles C4'-P-C4' energy: -90.521 flat angles P-C4'-P energy: -66.654 tors. eta vs tors. theta energy: -36.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -673.561345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.561345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.561345 (E_RNA) where: Base-Base interactions energy: -337.601 where: short stacking energy: -174.268 Base-Backbone interact. energy: -3.756 local terms energy: -332.204018 where: bonds (distance) C4'-P energy: -99.289 bonds (distance) P-C4' energy: -102.472 flat angles C4'-P-C4' energy: -84.271 flat angles P-C4'-P energy: -48.110 tors. eta vs tors. theta energy: 1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -566.923612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.923612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.923612 (E_RNA) where: Base-Base interactions energy: -238.766 where: short stacking energy: -134.536 Base-Backbone interact. energy: -1.684 local terms energy: -326.474084 where: bonds (distance) C4'-P energy: -101.699 bonds (distance) P-C4' energy: -107.152 flat angles C4'-P-C4' energy: -79.103 flat angles P-C4'-P energy: -55.518 tors. eta vs tors. theta energy: 16.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2100.412324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.412324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.412324 (E_RNA) where: Base-Base interactions energy: -1450.334 where: short stacking energy: -580.952 Base-Backbone interact. energy: -0.011 local terms energy: -650.067618 where: bonds (distance) C4'-P energy: -120.407 bonds (distance) P-C4' energy: -116.640 flat angles C4'-P-C4' energy: -148.454 flat angles P-C4'-P energy: -91.777 tors. eta vs tors. theta energy: -172.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2059.643066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.643066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.643066 (E_RNA) where: Base-Base interactions energy: -1431.028 where: short stacking energy: -584.295 Base-Backbone interact. energy: -2.932 local terms energy: -625.682693 where: bonds (distance) C4'-P energy: -107.447 bonds (distance) P-C4' energy: -110.551 flat angles C4'-P-C4' energy: -132.890 flat angles P-C4'-P energy: -99.380 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: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1906.291721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.291721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.291721 (E_RNA) where: Base-Base interactions energy: -1298.940 where: short stacking energy: -536.870 Base-Backbone interact. energy: -2.251 local terms energy: -605.100563 where: bonds (distance) C4'-P energy: -122.400 bonds (distance) P-C4' energy: -118.651 flat angles C4'-P-C4' energy: -122.051 flat angles P-C4'-P energy: -85.067 tors. eta vs tors. theta energy: -156.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1779.533139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.533139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.533139 (E_RNA) where: Base-Base interactions energy: -1201.754 where: short stacking energy: -508.330 Base-Backbone interact. energy: -2.409 local terms energy: -575.370687 where: bonds (distance) C4'-P energy: -113.207 bonds (distance) P-C4' energy: -109.192 flat angles C4'-P-C4' energy: -131.249 flat angles P-C4'-P energy: -86.819 tors. eta vs tors. theta energy: -134.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1552.332094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.332094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.332094 (E_RNA) where: Base-Base interactions energy: -972.431 where: short stacking energy: -450.174 Base-Backbone interact. energy: -2.222 local terms energy: -577.679166 where: bonds (distance) C4'-P energy: -113.297 bonds (distance) P-C4' energy: -125.049 flat angles C4'-P-C4' energy: -122.581 flat angles P-C4'-P energy: -76.095 tors. eta vs tors. theta energy: -140.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1579.316564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.316564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.316564 (E_RNA) where: Base-Base interactions energy: -1033.274 where: short stacking energy: -472.753 Base-Backbone interact. energy: -1.945 local terms energy: -544.097615 where: bonds (distance) C4'-P energy: -112.652 bonds (distance) P-C4' energy: -103.983 flat angles C4'-P-C4' energy: -115.925 flat angles P-C4'-P energy: -79.489 tors. eta vs tors. theta energy: -132.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1178.388130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.388130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.388130 (E_RNA) where: Base-Base interactions energy: -736.676 where: short stacking energy: -347.938 Base-Backbone interact. energy: -3.422 local terms energy: -438.290818 where: bonds (distance) C4'-P energy: -93.428 bonds (distance) P-C4' energy: -116.851 flat angles C4'-P-C4' energy: -82.708 flat angles P-C4'-P energy: -67.429 tors. eta vs tors. theta energy: -77.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -834.217504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.217504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.217504 (E_RNA) where: Base-Base interactions energy: -447.555 where: short stacking energy: -238.465 Base-Backbone interact. energy: -1.111 local terms energy: -385.551326 where: bonds (distance) C4'-P energy: -89.065 bonds (distance) P-C4' energy: -112.053 flat angles C4'-P-C4' energy: -104.506 flat angles P-C4'-P energy: -68.213 tors. eta vs tors. theta energy: -11.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -671.151823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.151823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.151823 (E_RNA) where: Base-Base interactions energy: -319.017 where: short stacking energy: -174.638 Base-Backbone interact. energy: 2.326 local terms energy: -354.460630 where: bonds (distance) C4'-P energy: -109.273 bonds (distance) P-C4' energy: -112.654 flat angles C4'-P-C4' energy: -83.302 flat angles P-C4'-P energy: -49.759 tors. eta vs tors. theta energy: 0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -494.335204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.335204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.335204 (E_RNA) where: Base-Base interactions energy: -199.366 where: short stacking energy: -144.701 Base-Backbone interact. energy: -3.606 local terms energy: -291.362690 where: bonds (distance) C4'-P energy: -96.595 bonds (distance) P-C4' energy: -93.280 flat angles C4'-P-C4' energy: -80.930 flat angles P-C4'-P energy: -29.721 tors. eta vs tors. theta energy: 9.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2138.769746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.769746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.769746 (E_RNA) where: Base-Base interactions energy: -1495.185 where: short stacking energy: -601.599 Base-Backbone interact. energy: -3.860 local terms energy: -639.724756 where: bonds (distance) C4'-P energy: -116.043 bonds (distance) P-C4' energy: -121.735 flat angles C4'-P-C4' energy: -125.682 flat angles P-C4'-P energy: -94.100 tors. eta vs tors. theta energy: -182.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2059.803394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.803394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.803394 (E_RNA) where: Base-Base interactions energy: -1419.292 where: short stacking energy: -593.182 Base-Backbone interact. energy: -2.585 local terms energy: -637.927185 where: bonds (distance) C4'-P energy: -124.729 bonds (distance) P-C4' energy: -127.894 flat angles C4'-P-C4' energy: -129.600 flat angles P-C4'-P energy: -81.014 tors. eta vs tors. theta energy: -174.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1896.839075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.839075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.839075 (E_RNA) where: Base-Base interactions energy: -1274.600 where: short stacking energy: -563.960 Base-Backbone interact. energy: -0.612 local terms energy: -621.627197 where: bonds (distance) C4'-P energy: -116.529 bonds (distance) P-C4' energy: -114.116 flat angles C4'-P-C4' energy: -124.499 flat angles P-C4'-P energy: -89.240 tors. eta vs tors. theta energy: -177.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1785.227278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.227278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.227278 (E_RNA) where: Base-Base interactions energy: -1203.039 where: short stacking energy: -485.196 Base-Backbone interact. energy: -1.792 local terms energy: -580.395531 where: bonds (distance) C4'-P energy: -107.657 bonds (distance) P-C4' energy: -114.761 flat angles C4'-P-C4' energy: -120.031 flat angles P-C4'-P energy: -83.894 tors. eta vs tors. theta energy: -154.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1569.472134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.472134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.472134 (E_RNA) where: Base-Base interactions energy: -1023.567 where: short stacking energy: -455.957 Base-Backbone interact. energy: -1.638 local terms energy: -544.267349 where: bonds (distance) C4'-P energy: -101.411 bonds (distance) P-C4' energy: -95.990 flat angles C4'-P-C4' energy: -119.655 flat angles P-C4'-P energy: -92.301 tors. eta vs tors. theta energy: -134.911 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: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1576.057796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.057796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.057796 (E_RNA) where: Base-Base interactions energy: -1066.471 where: short stacking energy: -450.578 Base-Backbone interact. energy: -1.863 local terms energy: -507.723807 where: bonds (distance) C4'-P energy: -96.303 bonds (distance) P-C4' energy: -102.683 flat angles C4'-P-C4' energy: -123.333 flat angles P-C4'-P energy: -66.024 tors. eta vs tors. theta energy: -119.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1178.312093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.312093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.312093 (E_RNA) where: Base-Base interactions energy: -710.576 where: short stacking energy: -322.197 Base-Backbone interact. energy: -5.372 local terms energy: -462.363696 where: bonds (distance) C4'-P energy: -95.637 bonds (distance) P-C4' energy: -116.006 flat angles C4'-P-C4' energy: -101.679 flat angles P-C4'-P energy: -80.658 tors. eta vs tors. theta energy: -68.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -895.435796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.435796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.435796 (E_RNA) where: Base-Base interactions energy: -521.127 where: short stacking energy: -259.852 Base-Backbone interact. energy: -2.051 local terms energy: -372.257635 where: bonds (distance) C4'-P energy: -85.797 bonds (distance) P-C4' energy: -110.806 flat angles C4'-P-C4' energy: -107.557 flat angles P-C4'-P energy: -34.890 tors. eta vs tors. theta energy: -33.208 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: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -615.031793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.031793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.031793 (E_RNA) where: Base-Base interactions energy: -283.763 where: short stacking energy: -163.940 Base-Backbone interact. energy: 3.881 local terms energy: -335.150081 where: bonds (distance) C4'-P energy: -87.961 bonds (distance) P-C4' energy: -94.774 flat angles C4'-P-C4' energy: -104.872 flat angles P-C4'-P energy: -50.277 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: 10, replica: 9 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -472.124379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.124379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.124379 (E_RNA) where: Base-Base interactions energy: -167.489 where: short stacking energy: -130.410 Base-Backbone interact. energy: 2.083 local terms energy: -306.719078 where: bonds (distance) C4'-P energy: -112.481 bonds (distance) P-C4' energy: -94.217 flat angles C4'-P-C4' energy: -81.757 flat angles P-C4'-P energy: -50.692 tors. eta vs tors. theta energy: 32.428 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: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2148.640143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.640143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.640143 (E_RNA) where: Base-Base interactions energy: -1504.773 where: short stacking energy: -579.571 Base-Backbone interact. energy: -5.036 local terms energy: -638.831511 where: bonds (distance) C4'-P energy: -116.733 bonds (distance) P-C4' energy: -122.079 flat angles C4'-P-C4' energy: -142.419 flat angles P-C4'-P energy: -88.198 tors. eta vs tors. theta energy: -169.402 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: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2062.917038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.917038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.917038 (E_RNA) where: Base-Base interactions energy: -1395.079 where: short stacking energy: -586.241 Base-Backbone interact. energy: -3.371 local terms energy: -664.467651 where: bonds (distance) C4'-P energy: -130.462 bonds (distance) P-C4' energy: -119.701 flat angles C4'-P-C4' energy: -135.232 flat angles P-C4'-P energy: -99.384 tors. eta vs tors. theta energy: -179.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1912.364068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.364068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.364068 (E_RNA) where: Base-Base interactions energy: -1283.998 where: short stacking energy: -551.771 Base-Backbone interact. energy: -0.764 local terms energy: -627.602275 where: bonds (distance) C4'-P energy: -121.413 bonds (distance) P-C4' energy: -124.848 flat angles C4'-P-C4' energy: -136.501 flat angles P-C4'-P energy: -88.477 tors. eta vs tors. theta energy: -156.363 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: 3 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1820.710955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.710955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.710955 (E_RNA) where: Base-Base interactions energy: -1213.922 where: short stacking energy: -498.030 Base-Backbone interact. energy: -1.795 local terms energy: -604.994201 where: bonds (distance) C4'-P energy: -114.597 bonds (distance) P-C4' energy: -114.216 flat angles C4'-P-C4' energy: -133.991 flat angles P-C4'-P energy: -87.459 tors. eta vs tors. theta energy: -154.732 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: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1617.162796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.162796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.162796 (E_RNA) where: Base-Base interactions energy: -1096.324 where: short stacking energy: -470.365 Base-Backbone interact. energy: -1.612 local terms energy: -519.226769 where: bonds (distance) C4'-P energy: -97.190 bonds (distance) P-C4' energy: -105.030 flat angles C4'-P-C4' energy: -113.104 flat angles P-C4'-P energy: -68.869 tors. eta vs tors. theta energy: -135.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1503.345316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.345316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.345316 (E_RNA) where: Base-Base interactions energy: -970.648 where: short stacking energy: -452.557 Base-Backbone interact. energy: -1.230 local terms energy: -531.467126 where: bonds (distance) C4'-P energy: -101.655 bonds (distance) P-C4' energy: -109.589 flat angles C4'-P-C4' energy: -125.753 flat angles P-C4'-P energy: -73.211 tors. eta vs tors. theta energy: -121.259 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: 10 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1084.300374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.300374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.300374 (E_RNA) where: Base-Base interactions energy: -666.395 where: short stacking energy: -298.016 Base-Backbone interact. energy: -0.042 local terms energy: -417.863302 where: bonds (distance) C4'-P energy: -100.248 bonds (distance) P-C4' energy: -110.294 flat angles C4'-P-C4' energy: -98.453 flat angles P-C4'-P energy: -50.945 tors. eta vs tors. theta energy: -57.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -924.835120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.835120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.835120 (E_RNA) where: Base-Base interactions energy: -541.975 where: short stacking energy: -256.005 Base-Backbone interact. energy: -4.788 local terms energy: -378.072376 where: bonds (distance) C4'-P energy: -86.857 bonds (distance) P-C4' energy: -110.372 flat angles C4'-P-C4' energy: -106.687 flat angles P-C4'-P energy: -47.958 tors. eta vs tors. theta energy: -26.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -643.170150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.170150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.170150 (E_RNA) where: Base-Base interactions energy: -326.195 where: short stacking energy: -186.182 Base-Backbone interact. energy: -1.438 local terms energy: -315.536891 where: bonds (distance) C4'-P energy: -104.560 bonds (distance) P-C4' energy: -102.189 flat angles C4'-P-C4' energy: -72.087 flat angles P-C4'-P energy: -35.803 tors. eta vs tors. theta energy: -0.898 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: 9 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -493.039487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.039487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.039487 (E_RNA) where: Base-Base interactions energy: -196.818 where: short stacking energy: -124.537 Base-Backbone interact. energy: 1.791 local terms energy: -298.012074 where: bonds (distance) C4'-P energy: -92.515 bonds (distance) P-C4' energy: -98.523 flat angles C4'-P-C4' energy: -82.681 flat angles P-C4'-P energy: -56.231 tors. eta vs tors. theta energy: 31.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2135.133218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.133218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.133218 (E_RNA) where: Base-Base interactions energy: -1508.172 where: short stacking energy: -576.806 Base-Backbone interact. energy: -2.957 local terms energy: -624.003369 where: bonds (distance) C4'-P energy: -124.383 bonds (distance) P-C4' energy: -109.393 flat angles C4'-P-C4' energy: -139.990 flat angles P-C4'-P energy: -86.980 tors. eta vs tors. theta energy: -163.256 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: 7 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2058.549644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.549644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.549644 (E_RNA) where: Base-Base interactions energy: -1416.451 where: short stacking energy: -589.781 Base-Backbone interact. energy: -3.902 local terms energy: -638.196846 where: bonds (distance) C4'-P energy: -113.034 bonds (distance) P-C4' energy: -117.126 flat angles C4'-P-C4' energy: -141.496 flat angles P-C4'-P energy: -87.862 tors. eta vs tors. theta energy: -178.679 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: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1888.099271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.099271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.099271 (E_RNA) where: Base-Base interactions energy: -1270.791 where: short stacking energy: -541.150 Base-Backbone interact. energy: -1.009 local terms energy: -616.298460 where: bonds (distance) C4'-P energy: -118.748 bonds (distance) P-C4' energy: -117.149 flat angles C4'-P-C4' energy: -130.920 flat angles P-C4'-P energy: -82.198 tors. eta vs tors. theta energy: -167.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1800.834975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.834975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.834975 (E_RNA) where: Base-Base interactions energy: -1233.473 where: short stacking energy: -500.413 Base-Backbone interact. energy: -0.673 local terms energy: -566.688990 where: bonds (distance) C4'-P energy: -93.375 bonds (distance) P-C4' energy: -113.145 flat angles C4'-P-C4' energy: -128.357 flat angles P-C4'-P energy: -89.018 tors. eta vs tors. theta energy: -142.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1644.248950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.248950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.248950 (E_RNA) where: Base-Base interactions energy: -1095.076 where: short stacking energy: -499.556 Base-Backbone interact. energy: 0.106 local terms energy: -549.278173 where: bonds (distance) C4'-P energy: -109.820 bonds (distance) P-C4' energy: -91.451 flat angles C4'-P-C4' energy: -123.275 flat angles P-C4'-P energy: -86.141 tors. eta vs tors. theta energy: -138.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1519.868883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.868883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.868883 (E_RNA) where: Base-Base interactions energy: -991.991 where: short stacking energy: -442.165 Base-Backbone interact. energy: 2.053 local terms energy: -529.930443 where: bonds (distance) C4'-P energy: -98.031 bonds (distance) P-C4' energy: -105.032 flat angles C4'-P-C4' energy: -119.956 flat angles P-C4'-P energy: -77.659 tors. eta vs tors. theta energy: -129.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1100.894777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.894777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.894777 (E_RNA) where: Base-Base interactions energy: -680.213 where: short stacking energy: -320.287 Base-Backbone interact. energy: -2.606 local terms energy: -418.075904 where: bonds (distance) C4'-P energy: -101.153 bonds (distance) P-C4' energy: -91.987 flat angles C4'-P-C4' energy: -101.986 flat angles P-C4'-P energy: -68.079 tors. eta vs tors. theta energy: -54.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -873.571762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.571762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.571762 (E_RNA) where: Base-Base interactions energy: -489.847 where: short stacking energy: -250.860 Base-Backbone interact. energy: -2.367 local terms energy: -381.358346 where: bonds (distance) C4'-P energy: -96.807 bonds (distance) P-C4' energy: -111.344 flat angles C4'-P-C4' energy: -97.952 flat angles P-C4'-P energy: -45.615 tors. eta vs tors. theta energy: -29.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -592.550559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.550559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.550559 (E_RNA) where: Base-Base interactions energy: -227.525 where: short stacking energy: -149.284 Base-Backbone interact. energy: -0.874 local terms energy: -364.151028 where: bonds (distance) C4'-P energy: -87.947 bonds (distance) P-C4' energy: -118.101 flat angles C4'-P-C4' energy: -99.064 flat angles P-C4'-P energy: -64.169 tors. eta vs tors. theta energy: 5.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -476.157586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.157586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.157586 (E_RNA) where: Base-Base interactions energy: -167.293 where: short stacking energy: -145.903 Base-Backbone interact. energy: 1.260 local terms energy: -310.124660 where: bonds (distance) C4'-P energy: -106.839 bonds (distance) P-C4' energy: -100.753 flat angles C4'-P-C4' energy: -74.910 flat angles P-C4'-P energy: -46.781 tors. eta vs tors. theta energy: 19.157 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: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2153.448755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.448755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.448755 (E_RNA) where: Base-Base interactions energy: -1507.532 where: short stacking energy: -598.210 Base-Backbone interact. energy: -1.325 local terms energy: -644.591784 where: bonds (distance) C4'-P energy: -126.418 bonds (distance) P-C4' energy: -118.187 flat angles C4'-P-C4' energy: -139.395 flat angles P-C4'-P energy: -87.554 tors. eta vs tors. theta energy: -173.038 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: 2, replica: 7 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2063.794229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.794229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.794229 (E_RNA) where: Base-Base interactions energy: -1424.797 where: short stacking energy: -589.919 Base-Backbone interact. energy: -3.410 local terms energy: -635.586960 where: bonds (distance) C4'-P energy: -118.023 bonds (distance) P-C4' energy: -108.782 flat angles C4'-P-C4' energy: -133.379 flat angles P-C4'-P energy: -94.297 tors. eta vs tors. theta energy: -181.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1895.265610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.265610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.265610 (E_RNA) where: Base-Base interactions energy: -1293.690 where: short stacking energy: -547.226 Base-Backbone interact. energy: -1.691 local terms energy: -599.885158 where: bonds (distance) C4'-P energy: -115.759 bonds (distance) P-C4' energy: -112.731 flat angles C4'-P-C4' energy: -126.863 flat angles P-C4'-P energy: -84.396 tors. eta vs tors. theta energy: -160.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1863.492163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.492163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.492163 (E_RNA) where: Base-Base interactions energy: -1285.841 where: short stacking energy: -539.590 Base-Backbone interact. energy: 0.407 local terms energy: -578.057571 where: bonds (distance) C4'-P energy: -96.541 bonds (distance) P-C4' energy: -108.173 flat angles C4'-P-C4' energy: -124.925 flat angles P-C4'-P energy: -89.060 tors. eta vs tors. theta energy: -159.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1628.164987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.164987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.164987 (E_RNA) where: Base-Base interactions energy: -1089.577 where: short stacking energy: -488.869 Base-Backbone interact. energy: 2.788 local terms energy: -541.376093 where: bonds (distance) C4'-P energy: -101.344 bonds (distance) P-C4' energy: -107.912 flat angles C4'-P-C4' energy: -125.072 flat angles P-C4'-P energy: -59.323 tors. eta vs tors. theta energy: -147.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1506.473583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.473583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.473583 (E_RNA) where: Base-Base interactions energy: -965.597 where: short stacking energy: -441.297 Base-Backbone interact. energy: -2.899 local terms energy: -537.977460 where: bonds (distance) C4'-P energy: -104.022 bonds (distance) P-C4' energy: -114.993 flat angles C4'-P-C4' energy: -124.800 flat angles P-C4'-P energy: -69.329 tors. eta vs tors. theta energy: -124.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1168.697286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.697286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.697286 (E_RNA) where: Base-Base interactions energy: -728.008 where: short stacking energy: -338.681 Base-Backbone interact. energy: -0.539 local terms energy: -440.150615 where: bonds (distance) C4'-P energy: -111.891 bonds (distance) P-C4' energy: -103.730 flat angles C4'-P-C4' energy: -109.060 flat angles P-C4'-P energy: -44.465 tors. eta vs tors. theta energy: -71.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -898.088630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.088630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.088630 (E_RNA) where: Base-Base interactions energy: -523.862 where: short stacking energy: -256.257 Base-Backbone interact. energy: -1.082 local terms energy: -373.143927 where: bonds (distance) C4'-P energy: -87.680 bonds (distance) P-C4' energy: -109.714 flat angles C4'-P-C4' energy: -74.623 flat angles P-C4'-P energy: -75.785 tors. eta vs tors. theta energy: -25.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -611.138646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.138646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.138646 (E_RNA) where: Base-Base interactions energy: -254.924 where: short stacking energy: -152.445 Base-Backbone interact. energy: -2.999 local terms energy: -353.215478 where: bonds (distance) C4'-P energy: -108.236 bonds (distance) P-C4' energy: -110.059 flat angles C4'-P-C4' energy: -88.399 flat angles P-C4'-P energy: -57.643 tors. eta vs tors. theta energy: 11.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -490.632571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.632571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.632571 (E_RNA) where: Base-Base interactions energy: -171.090 where: short stacking energy: -134.879 Base-Backbone interact. energy: -0.343 local terms energy: -319.198754 where: bonds (distance) C4'-P energy: -103.160 bonds (distance) P-C4' energy: -89.977 flat angles C4'-P-C4' energy: -82.764 flat angles P-C4'-P energy: -59.949 tors. eta vs tors. theta energy: 16.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2159.636093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.636093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.636093 (E_RNA) where: Base-Base interactions energy: -1510.737 where: short stacking energy: -598.415 Base-Backbone interact. energy: -1.226 local terms energy: -647.673839 where: bonds (distance) C4'-P energy: -122.250 bonds (distance) P-C4' energy: -118.325 flat angles C4'-P-C4' energy: -140.771 flat angles P-C4'-P energy: -92.350 tors. eta vs tors. theta energy: -173.978 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: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2084.046288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.046288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.046288 (E_RNA) where: Base-Base interactions energy: -1423.633 where: short stacking energy: -588.205 Base-Backbone interact. energy: -3.738 local terms energy: -656.675571 where: bonds (distance) C4'-P energy: -124.508 bonds (distance) P-C4' energy: -122.220 flat angles C4'-P-C4' energy: -138.811 flat angles P-C4'-P energy: -96.397 tors. eta vs tors. theta energy: -174.740 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: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1922.057436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.057436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.057436 (E_RNA) where: Base-Base interactions energy: -1337.160 where: short stacking energy: -555.716 Base-Backbone interact. energy: -2.619 local terms energy: -582.278448 where: bonds (distance) C4'-P energy: -104.162 bonds (distance) P-C4' energy: -112.040 flat angles C4'-P-C4' energy: -122.983 flat angles P-C4'-P energy: -70.215 tors. eta vs tors. theta energy: -172.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1831.389357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.389357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.389357 (E_RNA) where: Base-Base interactions energy: -1219.462 where: short stacking energy: -511.878 Base-Backbone interact. energy: -2.714 local terms energy: -609.213625 where: bonds (distance) C4'-P energy: -117.978 bonds (distance) P-C4' energy: -124.291 flat angles C4'-P-C4' energy: -130.058 flat angles P-C4'-P energy: -77.343 tors. eta vs tors. theta energy: -159.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1670.122602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.122602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.122602 (E_RNA) where: Base-Base interactions energy: -1124.563 where: short stacking energy: -503.395 Base-Backbone interact. energy: -0.140 local terms energy: -545.418660 where: bonds (distance) C4'-P energy: -85.341 bonds (distance) P-C4' energy: -128.894 flat angles C4'-P-C4' energy: -115.986 flat angles P-C4'-P energy: -77.921 tors. eta vs tors. theta energy: -137.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1474.174922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.174922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.174922 (E_RNA) where: Base-Base interactions energy: -991.041 where: short stacking energy: -444.366 Base-Backbone interact. energy: -1.994 local terms energy: -481.139388 where: bonds (distance) C4'-P energy: -80.956 bonds (distance) P-C4' energy: -98.410 flat angles C4'-P-C4' energy: -104.403 flat angles P-C4'-P energy: -79.648 tors. eta vs tors. theta energy: -117.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1177.991538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.991538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.991538 (E_RNA) where: Base-Base interactions energy: -733.037 where: short stacking energy: -350.997 Base-Backbone interact. energy: -0.343 local terms energy: -444.611610 where: bonds (distance) C4'-P energy: -101.305 bonds (distance) P-C4' energy: -105.183 flat angles C4'-P-C4' energy: -107.195 flat angles P-C4'-P energy: -55.088 tors. eta vs tors. theta energy: -75.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -922.269880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.269880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.269880 (E_RNA) where: Base-Base interactions energy: -530.847 where: short stacking energy: -264.975 Base-Backbone interact. energy: -2.347 local terms energy: -389.075253 where: bonds (distance) C4'-P energy: -93.206 bonds (distance) P-C4' energy: -97.364 flat angles C4'-P-C4' energy: -92.703 flat angles P-C4'-P energy: -70.653 tors. eta vs tors. theta energy: -35.150 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: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -620.208290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.208290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.208290 (E_RNA) where: Base-Base interactions energy: -275.727 where: short stacking energy: -178.058 Base-Backbone interact. energy: 5.522 local terms energy: -350.002695 where: bonds (distance) C4'-P energy: -78.424 bonds (distance) P-C4' energy: -112.808 flat angles C4'-P-C4' energy: -97.273 flat angles P-C4'-P energy: -66.368 tors. eta vs tors. theta energy: 4.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -489.406577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.406577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.406577 (E_RNA) where: Base-Base interactions energy: -178.705 where: short stacking energy: -121.284 Base-Backbone interact. energy: -1.794 local terms energy: -308.907607 where: bonds (distance) C4'-P energy: -95.187 bonds (distance) P-C4' energy: -105.419 flat angles C4'-P-C4' energy: -78.433 flat angles P-C4'-P energy: -53.829 tors. eta vs tors. theta energy: 23.960 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: 1, replica: 7 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2109.275798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.275798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.275798 (E_RNA) where: Base-Base interactions energy: -1453.563 where: short stacking energy: -580.321 Base-Backbone interact. energy: -4.097 local terms energy: -651.616033 where: bonds (distance) C4'-P energy: -121.758 bonds (distance) P-C4' energy: -108.198 flat angles C4'-P-C4' energy: -143.208 flat angles P-C4'-P energy: -103.034 tors. eta vs tors. theta energy: -175.418 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: 1 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2098.919150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.919150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.919150 (E_RNA) where: Base-Base interactions energy: -1457.760 where: short stacking energy: -575.560 Base-Backbone interact. energy: -3.926 local terms energy: -637.233855 where: bonds (distance) C4'-P energy: -128.467 bonds (distance) P-C4' energy: -125.013 flat angles C4'-P-C4' energy: -136.058 flat angles P-C4'-P energy: -86.385 tors. eta vs tors. theta energy: -161.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1923.146118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.146118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.146118 (E_RNA) where: Base-Base interactions energy: -1313.180 where: short stacking energy: -557.332 Base-Backbone interact. energy: 0.229 local terms energy: -610.194929 where: bonds (distance) C4'-P energy: -125.045 bonds (distance) P-C4' energy: -109.828 flat angles C4'-P-C4' energy: -123.071 flat angles P-C4'-P energy: -84.309 tors. eta vs tors. theta energy: -167.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1770.700525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.700525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.700525 (E_RNA) where: Base-Base interactions energy: -1211.419 where: short stacking energy: -486.678 Base-Backbone interact. energy: 1.536 local terms energy: -560.817348 where: bonds (distance) C4'-P energy: -106.740 bonds (distance) P-C4' energy: -117.522 flat angles C4'-P-C4' energy: -125.620 flat angles P-C4'-P energy: -59.406 tors. eta vs tors. theta energy: -151.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1616.449611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.449611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.449611 (E_RNA) where: Base-Base interactions energy: -1057.079 where: short stacking energy: -482.579 Base-Backbone interact. energy: 1.357 local terms energy: -560.727739 where: bonds (distance) C4'-P energy: -122.210 bonds (distance) P-C4' energy: -106.992 flat angles C4'-P-C4' energy: -120.890 flat angles P-C4'-P energy: -71.915 tors. eta vs tors. theta energy: -138.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1558.523852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.523852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.523852 (E_RNA) where: Base-Base interactions energy: -1056.112 where: short stacking energy: -420.622 Base-Backbone interact. energy: -2.718 local terms energy: -499.693663 where: bonds (distance) C4'-P energy: -106.287 bonds (distance) P-C4' energy: -106.015 flat angles C4'-P-C4' energy: -121.091 flat angles P-C4'-P energy: -59.594 tors. eta vs tors. theta energy: -106.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1135.454635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.454635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.454635 (E_RNA) where: Base-Base interactions energy: -672.907 where: short stacking energy: -314.924 Base-Backbone interact. energy: -0.921 local terms energy: -461.626360 where: bonds (distance) C4'-P energy: -116.049 bonds (distance) P-C4' energy: -98.810 flat angles C4'-P-C4' energy: -111.235 flat angles P-C4'-P energy: -60.792 tors. eta vs tors. theta energy: -74.740 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: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -899.617739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.617739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.617739 (E_RNA) where: Base-Base interactions energy: -485.061 where: short stacking energy: -237.201 Base-Backbone interact. energy: 3.453 local terms energy: -418.010002 where: bonds (distance) C4'-P energy: -87.281 bonds (distance) P-C4' energy: -117.780 flat angles C4'-P-C4' energy: -99.434 flat angles P-C4'-P energy: -79.258 tors. eta vs tors. theta energy: -34.257 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: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -581.724984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.724984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.724984 (E_RNA) where: Base-Base interactions energy: -265.948 where: short stacking energy: -147.594 Base-Backbone interact. energy: -0.378 local terms energy: -315.399067 where: bonds (distance) C4'-P energy: -87.473 bonds (distance) P-C4' energy: -109.304 flat angles C4'-P-C4' energy: -96.888 flat angles P-C4'-P energy: -35.920 tors. eta vs tors. theta energy: 14.185 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: 9 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -506.838671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.838671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.838671 (E_RNA) where: Base-Base interactions energy: -210.610 where: short stacking energy: -141.375 Base-Backbone interact. energy: -1.811 local terms energy: -294.418205 where: bonds (distance) C4'-P energy: -97.875 bonds (distance) P-C4' energy: -91.264 flat angles C4'-P-C4' energy: -92.334 flat angles P-C4'-P energy: -35.974 tors. eta vs tors. theta energy: 23.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2113.624646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.624646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.624646 (E_RNA) where: Base-Base interactions energy: -1446.093 where: short stacking energy: -592.062 Base-Backbone interact. energy: -1.361 local terms energy: -666.170703 where: bonds (distance) C4'-P energy: -118.183 bonds (distance) P-C4' energy: -121.479 flat angles C4'-P-C4' energy: -150.678 flat angles P-C4'-P energy: -92.188 tors. eta vs tors. theta energy: -183.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2082.126754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.126754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.126754 (E_RNA) where: Base-Base interactions energy: -1463.226 where: short stacking energy: -571.264 Base-Backbone interact. energy: -3.734 local terms energy: -615.166058 where: bonds (distance) C4'-P energy: -111.115 bonds (distance) P-C4' energy: -123.059 flat angles C4'-P-C4' energy: -133.839 flat angles P-C4'-P energy: -88.065 tors. eta vs tors. theta energy: -159.088 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: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1920.776713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.776713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.776713 (E_RNA) where: Base-Base interactions energy: -1280.265 where: short stacking energy: -564.151 Base-Backbone interact. energy: -1.213 local terms energy: -639.298710 where: bonds (distance) C4'-P energy: -113.957 bonds (distance) P-C4' energy: -118.146 flat angles C4'-P-C4' energy: -138.919 flat angles P-C4'-P energy: -101.433 tors. eta vs tors. theta energy: -166.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1778.537775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.537775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.537775 (E_RNA) where: Base-Base interactions energy: -1174.978 where: short stacking energy: -472.210 Base-Backbone interact. energy: 3.228 local terms energy: -606.787807 where: bonds (distance) C4'-P energy: -121.736 bonds (distance) P-C4' energy: -123.301 flat angles C4'-P-C4' energy: -126.877 flat angles P-C4'-P energy: -90.138 tors. eta vs tors. theta energy: -144.735 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: 2 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1602.190995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.190995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.190995 (E_RNA) where: Base-Base interactions energy: -1037.323 where: short stacking energy: -463.254 Base-Backbone interact. energy: -0.694 local terms energy: -564.173734 where: bonds (distance) C4'-P energy: -111.093 bonds (distance) P-C4' energy: -115.069 flat angles C4'-P-C4' energy: -116.467 flat angles P-C4'-P energy: -90.514 tors. eta vs tors. theta energy: -131.031 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: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1623.896653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.896653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.896653 (E_RNA) where: Base-Base interactions energy: -1081.177 where: short stacking energy: -460.245 Base-Backbone interact. energy: -0.519 local terms energy: -542.200430 where: bonds (distance) C4'-P energy: -96.667 bonds (distance) P-C4' energy: -101.485 flat angles C4'-P-C4' energy: -119.244 flat angles P-C4'-P energy: -73.174 tors. eta vs tors. theta energy: -151.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1073.176120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.176120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.176120 (E_RNA) where: Base-Base interactions energy: -636.365 where: short stacking energy: -293.141 Base-Backbone interact. energy: -3.708 local terms energy: -433.103185 where: bonds (distance) C4'-P energy: -86.867 bonds (distance) P-C4' energy: -106.458 flat angles C4'-P-C4' energy: -119.682 flat angles P-C4'-P energy: -66.106 tors. eta vs tors. theta energy: -53.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -866.747035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.747035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.747035 (E_RNA) where: Base-Base interactions energy: -500.354 where: short stacking energy: -238.268 Base-Backbone interact. energy: 1.891 local terms energy: -368.284556 where: bonds (distance) C4'-P energy: -104.274 bonds (distance) P-C4' energy: -106.043 flat angles C4'-P-C4' energy: -91.813 flat angles P-C4'-P energy: -57.227 tors. eta vs tors. theta energy: -8.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -597.343902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.343902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.343902 (E_RNA) where: Base-Base interactions energy: -268.078 where: short stacking energy: -152.225 Base-Backbone interact. energy: -2.037 local terms energy: -327.228889 where: bonds (distance) C4'-P energy: -98.349 bonds (distance) P-C4' energy: -100.404 flat angles C4'-P-C4' energy: -90.378 flat angles P-C4'-P energy: -45.154 tors. eta vs tors. theta energy: 7.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -496.362048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.362048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.362048 (E_RNA) where: Base-Base interactions energy: -202.172 where: short stacking energy: -150.167 Base-Backbone interact. energy: 10.924 local terms energy: -305.113961 where: bonds (distance) C4'-P energy: -76.483 bonds (distance) P-C4' energy: -86.867 flat angles C4'-P-C4' energy: -97.395 flat angles P-C4'-P energy: -53.064 tors. eta vs tors. theta energy: 8.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2091.896265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.896265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.896265 (E_RNA) where: Base-Base interactions energy: -1427.360 where: short stacking energy: -585.619 Base-Backbone interact. energy: -3.498 local terms energy: -661.038480 where: bonds (distance) C4'-P energy: -131.829 bonds (distance) P-C4' energy: -118.425 flat angles C4'-P-C4' energy: -142.680 flat angles P-C4'-P energy: -88.107 tors. eta vs tors. theta energy: -179.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2073.111757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.111757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.111757 (E_RNA) where: Base-Base interactions energy: -1442.172 where: short stacking energy: -588.503 Base-Backbone interact. energy: 0.597 local terms energy: -631.536792 where: bonds (distance) C4'-P energy: -111.385 bonds (distance) P-C4' energy: -121.845 flat angles C4'-P-C4' energy: -129.936 flat angles P-C4'-P energy: -90.095 tors. eta vs tors. theta energy: -178.277 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: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1897.752229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.752229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.752229 (E_RNA) where: Base-Base interactions energy: -1286.029 where: short stacking energy: -551.398 Base-Backbone interact. energy: 0.987 local terms energy: -612.710648 where: bonds (distance) C4'-P energy: -114.785 bonds (distance) P-C4' energy: -110.696 flat angles C4'-P-C4' energy: -135.573 flat angles P-C4'-P energy: -85.362 tors. eta vs tors. theta energy: -166.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1851.101836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.101836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.101836 (E_RNA) where: Base-Base interactions energy: -1279.675 where: short stacking energy: -530.114 Base-Backbone interact. energy: -0.900 local terms energy: -570.526397 where: bonds (distance) C4'-P energy: -101.688 bonds (distance) P-C4' energy: -101.965 flat angles C4'-P-C4' energy: -137.210 flat angles P-C4'-P energy: -66.341 tors. eta vs tors. theta energy: -163.323 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: 268 Temperature: 1.100000 Total energy: -1635.568381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.568381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.568381 (E_RNA) where: Base-Base interactions energy: -1066.019 where: short stacking energy: -464.531 Base-Backbone interact. energy: -2.193 local terms energy: -567.356853 where: bonds (distance) C4'-P energy: -95.613 bonds (distance) P-C4' energy: -121.892 flat angles C4'-P-C4' energy: -130.022 flat angles P-C4'-P energy: -83.053 tors. eta vs tors. theta energy: -136.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1577.466416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.466416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.466416 (E_RNA) where: Base-Base interactions energy: -1037.618 where: short stacking energy: -438.520 Base-Backbone interact. energy: -1.916 local terms energy: -537.932241 where: bonds (distance) C4'-P energy: -117.846 bonds (distance) P-C4' energy: -111.550 flat angles C4'-P-C4' energy: -111.303 flat angles P-C4'-P energy: -71.358 tors. eta vs tors. theta energy: -125.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1093.905634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.905634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.905634 (E_RNA) where: Base-Base interactions energy: -645.898 where: short stacking energy: -332.498 Base-Backbone interact. energy: 0.128 local terms energy: -448.134704 where: bonds (distance) C4'-P energy: -106.981 bonds (distance) P-C4' energy: -113.280 flat angles C4'-P-C4' energy: -107.825 flat angles P-C4'-P energy: -55.033 tors. eta vs tors. theta energy: -65.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -878.755322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.755322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.755322 (E_RNA) where: Base-Base interactions energy: -485.505 where: short stacking energy: -233.981 Base-Backbone interact. energy: -1.715 local terms energy: -391.534660 where: bonds (distance) C4'-P energy: -113.311 bonds (distance) P-C4' energy: -102.087 flat angles C4'-P-C4' energy: -102.013 flat angles P-C4'-P energy: -47.452 tors. eta vs tors. theta energy: -26.671 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: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -610.630898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.630898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.630898 (E_RNA) where: Base-Base interactions energy: -277.852 where: short stacking energy: -157.659 Base-Backbone interact. energy: 0.795 local terms energy: -333.573478 where: bonds (distance) C4'-P energy: -95.931 bonds (distance) P-C4' energy: -96.814 flat angles C4'-P-C4' energy: -104.593 flat angles P-C4'-P energy: -32.208 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -472.633194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.633194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.633194 (E_RNA) where: Base-Base interactions energy: -160.850 where: short stacking energy: -133.285 Base-Backbone interact. energy: 1.863 local terms energy: -313.645954 where: bonds (distance) C4'-P energy: -92.130 bonds (distance) P-C4' energy: -98.857 flat angles C4'-P-C4' energy: -85.420 flat angles P-C4'-P energy: -65.242 tors. eta vs tors. theta energy: 28.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2093.843749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.843749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.843749 (E_RNA) where: Base-Base interactions energy: -1449.914 where: short stacking energy: -607.270 Base-Backbone interact. energy: -3.971 local terms energy: -639.958750 where: bonds (distance) C4'-P energy: -103.834 bonds (distance) P-C4' energy: -118.658 flat angles C4'-P-C4' energy: -142.917 flat angles P-C4'-P energy: -95.540 tors. eta vs tors. theta energy: -179.009 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: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2062.489962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.489962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.489962 (E_RNA) where: Base-Base interactions energy: -1415.746 where: short stacking energy: -575.574 Base-Backbone interact. energy: 0.499 local terms energy: -647.243151 where: bonds (distance) C4'-P energy: -120.406 bonds (distance) P-C4' energy: -119.963 flat angles C4'-P-C4' energy: -141.410 flat angles P-C4'-P energy: -94.689 tors. eta vs tors. theta energy: -170.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1949.428733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.428733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.428733 (E_RNA) where: Base-Base interactions energy: -1303.811 where: short stacking energy: -520.228 Base-Backbone interact. energy: -2.664 local terms energy: -642.953549 where: bonds (distance) C4'-P energy: -120.731 bonds (distance) P-C4' energy: -132.428 flat angles C4'-P-C4' energy: -136.077 flat angles P-C4'-P energy: -89.046 tors. eta vs tors. theta energy: -164.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1806.624872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.624872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.624872 (E_RNA) where: Base-Base interactions energy: -1260.881 where: short stacking energy: -531.466 Base-Backbone interact. energy: -0.200 local terms energy: -545.543398 where: bonds (distance) C4'-P energy: -100.788 bonds (distance) P-C4' energy: -93.853 flat angles C4'-P-C4' energy: -124.510 flat angles P-C4'-P energy: -68.095 tors. eta vs tors. theta energy: -158.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1621.074843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.074843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.074843 (E_RNA) where: Base-Base interactions energy: -1057.505 where: short stacking energy: -503.290 Base-Backbone interact. energy: -2.746 local terms energy: -560.823322 where: bonds (distance) C4'-P energy: -93.012 bonds (distance) P-C4' energy: -114.338 flat angles C4'-P-C4' energy: -114.488 flat angles P-C4'-P energy: -81.681 tors. eta vs tors. theta energy: -157.304 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: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1572.708316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.708316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.708316 (E_RNA) where: Base-Base interactions energy: -1056.725 where: short stacking energy: -478.511 Base-Backbone interact. energy: 2.322 local terms energy: -518.305315 where: bonds (distance) C4'-P energy: -106.696 bonds (distance) P-C4' energy: -95.028 flat angles C4'-P-C4' energy: -112.288 flat angles P-C4'-P energy: -71.180 tors. eta vs tors. theta energy: -133.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1136.479351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.479351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.479351 (E_RNA) where: Base-Base interactions energy: -692.852 where: short stacking energy: -327.675 Base-Backbone interact. energy: -1.355 local terms energy: -442.271980 where: bonds (distance) C4'-P energy: -94.928 bonds (distance) P-C4' energy: -103.440 flat angles C4'-P-C4' energy: -101.576 flat angles P-C4'-P energy: -68.223 tors. eta vs tors. theta energy: -74.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -955.913275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.913275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.913275 (E_RNA) where: Base-Base interactions energy: -571.527 where: short stacking energy: -283.922 Base-Backbone interact. energy: -1.468 local terms energy: -382.918463 where: bonds (distance) C4'-P energy: -94.963 bonds (distance) P-C4' energy: -104.588 flat angles C4'-P-C4' energy: -99.966 flat angles P-C4'-P energy: -40.830 tors. eta vs tors. theta energy: -42.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -635.420262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.420262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.420262 (E_RNA) where: Base-Base interactions energy: -275.945 where: short stacking energy: -160.244 Base-Backbone interact. energy: 0.013 local terms energy: -359.487623 where: bonds (distance) C4'-P energy: -104.702 bonds (distance) P-C4' energy: -113.988 flat angles C4'-P-C4' energy: -95.820 flat angles P-C4'-P energy: -53.573 tors. eta vs tors. theta energy: 8.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -464.484419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.484419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.484419 (E_RNA) where: Base-Base interactions energy: -162.321 where: short stacking energy: -137.679 Base-Backbone interact. energy: 4.270 local terms energy: -306.433484 where: bonds (distance) C4'-P energy: -103.465 bonds (distance) P-C4' energy: -90.489 flat angles C4'-P-C4' energy: -70.965 flat angles P-C4'-P energy: -59.265 tors. eta vs tors. theta energy: 17.752 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: 7 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2110.828463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.828463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.828463 (E_RNA) where: Base-Base interactions energy: -1449.797 where: short stacking energy: -595.543 Base-Backbone interact. energy: -4.624 local terms energy: -656.407845 where: bonds (distance) C4'-P energy: -114.585 bonds (distance) P-C4' energy: -122.584 flat angles C4'-P-C4' energy: -140.305 flat angles P-C4'-P energy: -96.472 tors. eta vs tors. theta energy: -182.462 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: 1 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2117.227373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.227373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.227373 (E_RNA) where: Base-Base interactions energy: -1468.683 where: short stacking energy: -586.103 Base-Backbone interact. energy: -3.584 local terms energy: -644.959971 where: bonds (distance) C4'-P energy: -125.378 bonds (distance) P-C4' energy: -125.829 flat angles C4'-P-C4' energy: -119.213 flat angles P-C4'-P energy: -91.387 tors. eta vs tors. theta energy: -183.152 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: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1961.747231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.747231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.747231 (E_RNA) where: Base-Base interactions energy: -1335.158 where: short stacking energy: -558.232 Base-Backbone interact. energy: -1.031 local terms energy: -625.558217 where: bonds (distance) C4'-P energy: -114.115 bonds (distance) P-C4' energy: -120.950 flat angles C4'-P-C4' energy: -135.925 flat angles P-C4'-P energy: -88.026 tors. eta vs tors. theta energy: -166.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1819.135867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.135867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.135867 (E_RNA) where: Base-Base interactions energy: -1243.210 where: short stacking energy: -506.038 Base-Backbone interact. energy: 0.114 local terms energy: -576.039971 where: bonds (distance) C4'-P energy: -109.543 bonds (distance) P-C4' energy: -112.962 flat angles C4'-P-C4' energy: -123.339 flat angles P-C4'-P energy: -87.737 tors. eta vs tors. theta energy: -142.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1647.586048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.586048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.586048 (E_RNA) where: Base-Base interactions energy: -1085.969 where: short stacking energy: -495.291 Base-Backbone interact. energy: -0.446 local terms energy: -561.171009 where: bonds (distance) C4'-P energy: -96.214 bonds (distance) P-C4' energy: -100.868 flat angles C4'-P-C4' energy: -138.531 flat angles P-C4'-P energy: -79.465 tors. eta vs tors. theta energy: -146.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1551.010636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.010636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.010636 (E_RNA) where: Base-Base interactions energy: -1027.231 where: short stacking energy: -446.452 Base-Backbone interact. energy: -1.381 local terms energy: -522.398694 where: bonds (distance) C4'-P energy: -88.192 bonds (distance) P-C4' energy: -104.341 flat angles C4'-P-C4' energy: -132.854 flat angles P-C4'-P energy: -73.633 tors. eta vs tors. theta energy: -123.380 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: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -986.735709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.735709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.735709 (E_RNA) where: Base-Base interactions energy: -597.591 where: short stacking energy: -291.632 Base-Backbone interact. energy: -4.463 local terms energy: -384.682552 where: bonds (distance) C4'-P energy: -92.226 bonds (distance) P-C4' energy: -94.310 flat angles C4'-P-C4' energy: -96.941 flat angles P-C4'-P energy: -58.165 tors. eta vs tors. theta energy: -43.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1070.698220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.698220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.698220 (E_RNA) where: Base-Base interactions energy: -653.925 where: short stacking energy: -308.047 Base-Backbone interact. energy: -0.551 local terms energy: -416.221647 where: bonds (distance) C4'-P energy: -110.590 bonds (distance) P-C4' energy: -102.357 flat angles C4'-P-C4' energy: -78.581 flat angles P-C4'-P energy: -66.972 tors. eta vs tors. theta energy: -57.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -583.395931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.395931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.395931 (E_RNA) where: Base-Base interactions energy: -261.626 where: short stacking energy: -171.946 Base-Backbone interact. energy: -0.739 local terms energy: -321.030956 where: bonds (distance) C4'-P energy: -102.716 bonds (distance) P-C4' energy: -111.770 flat angles C4'-P-C4' energy: -97.679 flat angles P-C4'-P energy: -32.542 tors. eta vs tors. theta energy: 23.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -466.160778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.160778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.160778 (E_RNA) where: Base-Base interactions energy: -156.171 where: short stacking energy: -122.769 Base-Backbone interact. energy: 5.290 local terms energy: -315.280233 where: bonds (distance) C4'-P energy: -95.196 bonds (distance) P-C4' energy: -117.519 flat angles C4'-P-C4' energy: -73.817 flat angles P-C4'-P energy: -44.571 tors. eta vs tors. theta energy: 15.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2101.710039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.710039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.710039 (E_RNA) where: Base-Base interactions energy: -1467.178 where: short stacking energy: -602.267 Base-Backbone interact. energy: -3.722 local terms energy: -630.809743 where: bonds (distance) C4'-P energy: -116.201 bonds (distance) P-C4' energy: -116.300 flat angles C4'-P-C4' energy: -134.140 flat angles P-C4'-P energy: -93.852 tors. eta vs tors. theta energy: -170.317 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: 2, replica: 1 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2085.130613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.130613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.130613 (E_RNA) where: Base-Base interactions energy: -1461.981 where: short stacking energy: -580.247 Base-Backbone interact. energy: 0.746 local terms energy: -623.895154 where: bonds (distance) C4'-P energy: -120.547 bonds (distance) P-C4' energy: -105.298 flat angles C4'-P-C4' energy: -129.535 flat angles P-C4'-P energy: -92.097 tors. eta vs tors. theta energy: -176.417 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: 3, replica: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1958.557514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.557514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.557514 (E_RNA) where: Base-Base interactions energy: -1336.225 where: short stacking energy: -559.461 Base-Backbone interact. energy: -1.614 local terms energy: -620.718826 where: bonds (distance) C4'-P energy: -121.774 bonds (distance) P-C4' energy: -114.008 flat angles C4'-P-C4' energy: -134.799 flat angles P-C4'-P energy: -83.220 tors. eta vs tors. theta energy: -166.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1877.099473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.099473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.099473 (E_RNA) where: Base-Base interactions energy: -1279.791 where: short stacking energy: -514.750 Base-Backbone interact. energy: 0.220 local terms energy: -597.528312 where: bonds (distance) C4'-P energy: -124.449 bonds (distance) P-C4' energy: -108.148 flat angles C4'-P-C4' energy: -123.974 flat angles P-C4'-P energy: -80.018 tors. eta vs tors. theta energy: -160.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1616.255628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.255628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.255628 (E_RNA) where: Base-Base interactions energy: -1059.533 where: short stacking energy: -458.751 Base-Backbone interact. energy: 1.753 local terms energy: -558.475080 where: bonds (distance) C4'-P energy: -100.708 bonds (distance) P-C4' energy: -118.766 flat angles C4'-P-C4' energy: -132.970 flat angles P-C4'-P energy: -74.053 tors. eta vs tors. theta energy: -131.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1535.709084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.709084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.709084 (E_RNA) where: Base-Base interactions energy: -994.617 where: short stacking energy: -440.742 Base-Backbone interact. energy: -1.097 local terms energy: -539.994975 where: bonds (distance) C4'-P energy: -97.972 bonds (distance) P-C4' energy: -125.137 flat angles C4'-P-C4' energy: -115.080 flat angles P-C4'-P energy: -84.376 tors. eta vs tors. theta energy: -117.431 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: 271 Temperature: 1.200000 Total energy: -981.874795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.874795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.874795 (E_RNA) where: Base-Base interactions energy: -573.710 where: short stacking energy: -279.611 Base-Backbone interact. energy: -1.337 local terms energy: -406.826947 where: bonds (distance) C4'-P energy: -95.363 bonds (distance) P-C4' energy: -103.899 flat angles C4'-P-C4' energy: -94.525 flat angles P-C4'-P energy: -61.513 tors. eta vs tors. theta energy: -51.527 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: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1023.337447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.337447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.337447 (E_RNA) where: Base-Base interactions energy: -632.709 where: short stacking energy: -284.869 Base-Backbone interact. energy: -3.293 local terms energy: -387.335483 where: bonds (distance) C4'-P energy: -105.782 bonds (distance) P-C4' energy: -85.651 flat angles C4'-P-C4' energy: -104.226 flat angles P-C4'-P energy: -55.955 tors. eta vs tors. theta energy: -35.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -616.587387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.587387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.587387 (E_RNA) where: Base-Base interactions energy: -266.187 where: short stacking energy: -143.719 Base-Backbone interact. energy: -0.070 local terms energy: -350.329755 where: bonds (distance) C4'-P energy: -118.902 bonds (distance) P-C4' energy: -104.254 flat angles C4'-P-C4' energy: -93.589 flat angles P-C4'-P energy: -40.746 tors. eta vs tors. theta energy: 7.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -487.332967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.332967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.332967 (E_RNA) where: Base-Base interactions energy: -162.889 where: short stacking energy: -132.161 Base-Backbone interact. energy: -1.705 local terms energy: -322.739006 where: bonds (distance) C4'-P energy: -87.006 bonds (distance) P-C4' energy: -111.331 flat angles C4'-P-C4' energy: -100.197 flat angles P-C4'-P energy: -51.586 tors. eta vs tors. theta energy: 27.381 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: 7 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2116.712985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.712985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.712985 (E_RNA) where: Base-Base interactions energy: -1475.062 where: short stacking energy: -606.173 Base-Backbone interact. energy: 0.233 local terms energy: -641.883782 where: bonds (distance) C4'-P energy: -106.384 bonds (distance) P-C4' energy: -130.894 flat angles C4'-P-C4' energy: -141.238 flat angles P-C4'-P energy: -88.289 tors. eta vs tors. theta energy: -175.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2064.059254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.059254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.059254 (E_RNA) where: Base-Base interactions energy: -1424.312 where: short stacking energy: -590.147 Base-Backbone interact. energy: -4.174 local terms energy: -635.573246 where: bonds (distance) C4'-P energy: -106.800 bonds (distance) P-C4' energy: -120.162 flat angles C4'-P-C4' energy: -138.724 flat angles P-C4'-P energy: -94.685 tors. eta vs tors. theta energy: -175.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1967.894728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.894728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.894728 (E_RNA) where: Base-Base interactions energy: -1353.097 where: short stacking energy: -555.886 Base-Backbone interact. energy: 1.769 local terms energy: -616.566171 where: bonds (distance) C4'-P energy: -129.796 bonds (distance) P-C4' energy: -118.266 flat angles C4'-P-C4' energy: -123.523 flat angles P-C4'-P energy: -75.843 tors. eta vs tors. theta energy: -169.138 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: 4, replica: 3 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1880.981556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.981556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.981556 (E_RNA) where: Base-Base interactions energy: -1277.342 where: short stacking energy: -552.697 Base-Backbone interact. energy: -0.224 local terms energy: -603.415505 where: bonds (distance) C4'-P energy: -99.879 bonds (distance) P-C4' energy: -119.352 flat angles C4'-P-C4' energy: -127.754 flat angles P-C4'-P energy: -84.125 tors. eta vs tors. theta energy: -172.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1606.861501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.861501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.861501 (E_RNA) where: Base-Base interactions energy: -1075.204 where: short stacking energy: -458.601 Base-Backbone interact. energy: -0.283 local terms energy: -531.374496 where: bonds (distance) C4'-P energy: -102.631 bonds (distance) P-C4' energy: -114.267 flat angles C4'-P-C4' energy: -114.402 flat angles P-C4'-P energy: -75.402 tors. eta vs tors. theta energy: -124.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1441.910130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.910130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.910130 (E_RNA) where: Base-Base interactions energy: -913.501 where: short stacking energy: -407.999 Base-Backbone interact. energy: -3.609 local terms energy: -524.799989 where: bonds (distance) C4'-P energy: -116.550 bonds (distance) P-C4' energy: -117.881 flat angles C4'-P-C4' energy: -118.783 flat angles P-C4'-P energy: -67.056 tors. eta vs tors. theta energy: -104.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1045.472114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.472114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.472114 (E_RNA) where: Base-Base interactions energy: -611.866 where: short stacking energy: -286.080 Base-Backbone interact. energy: -2.746 local terms energy: -430.860161 where: bonds (distance) C4'-P energy: -95.702 bonds (distance) P-C4' energy: -114.332 flat angles C4'-P-C4' energy: -115.650 flat angles P-C4'-P energy: -53.484 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: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -924.202353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.202353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.202353 (E_RNA) where: Base-Base interactions energy: -549.714 where: short stacking energy: -268.309 Base-Backbone interact. energy: 0.325 local terms energy: -374.812791 where: bonds (distance) C4'-P energy: -100.698 bonds (distance) P-C4' energy: -109.394 flat angles C4'-P-C4' energy: -101.128 flat angles P-C4'-P energy: -33.107 tors. eta vs tors. theta energy: -30.485 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: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -590.811663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.811663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.811663 (E_RNA) where: Base-Base interactions energy: -265.480 where: short stacking energy: -178.091 Base-Backbone interact. energy: 0.729 local terms energy: -326.059823 where: bonds (distance) C4'-P energy: -89.590 bonds (distance) P-C4' energy: -97.747 flat angles C4'-P-C4' energy: -95.761 flat angles P-C4'-P energy: -51.464 tors. eta vs tors. theta energy: 8.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -449.413955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.413955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.413955 (E_RNA) where: Base-Base interactions energy: -162.679 where: short stacking energy: -140.993 Base-Backbone interact. energy: 0.362 local terms energy: -287.096394 where: bonds (distance) C4'-P energy: -76.811 bonds (distance) P-C4' energy: -112.283 flat angles C4'-P-C4' energy: -70.401 flat angles P-C4'-P energy: -55.295 tors. eta vs tors. theta energy: 27.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2098.791496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.791496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.791496 (E_RNA) where: Base-Base interactions energy: -1444.464 where: short stacking energy: -583.938 Base-Backbone interact. energy: -1.641 local terms energy: -652.686693 where: bonds (distance) C4'-P energy: -112.764 bonds (distance) P-C4' energy: -130.303 flat angles C4'-P-C4' energy: -135.000 flat angles P-C4'-P energy: -93.614 tors. eta vs tors. theta energy: -181.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1992.955617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.955617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.955617 (E_RNA) where: Base-Base interactions energy: -1377.286 where: short stacking energy: -581.423 Base-Backbone interact. energy: 4.123 local terms energy: -619.793041 where: bonds (distance) C4'-P energy: -107.588 bonds (distance) P-C4' energy: -111.015 flat angles C4'-P-C4' energy: -134.005 flat angles P-C4'-P energy: -94.761 tors. eta vs tors. theta energy: -172.424 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: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1993.967465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.967465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.967465 (E_RNA) where: Base-Base interactions energy: -1395.747 where: short stacking energy: -567.823 Base-Backbone interact. energy: 2.616 local terms energy: -600.836006 where: bonds (distance) C4'-P energy: -101.930 bonds (distance) P-C4' energy: -113.108 flat angles C4'-P-C4' energy: -124.498 flat angles P-C4'-P energy: -85.731 tors. eta vs tors. theta energy: -175.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1820.924362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.924362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.924362 (E_RNA) where: Base-Base interactions energy: -1220.049 where: short stacking energy: -510.814 Base-Backbone interact. energy: -0.072 local terms energy: -600.803256 where: bonds (distance) C4'-P energy: -100.325 bonds (distance) P-C4' energy: -112.121 flat angles C4'-P-C4' energy: -130.646 flat angles P-C4'-P energy: -92.224 tors. eta vs tors. theta energy: -165.486 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: 4 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1561.590142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.590142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.590142 (E_RNA) where: Base-Base interactions energy: -1038.615 where: short stacking energy: -447.431 Base-Backbone interact. energy: -1.837 local terms energy: -521.138207 where: bonds (distance) C4'-P energy: -90.358 bonds (distance) P-C4' energy: -104.229 flat angles C4'-P-C4' energy: -111.349 flat angles P-C4'-P energy: -89.178 tors. eta vs tors. theta energy: -126.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1520.714057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.714057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.714057 (E_RNA) where: Base-Base interactions energy: -976.581 where: short stacking energy: -441.188 Base-Backbone interact. energy: -0.089 local terms energy: -544.043493 where: bonds (distance) C4'-P energy: -116.768 bonds (distance) P-C4' energy: -104.818 flat angles C4'-P-C4' energy: -125.448 flat angles P-C4'-P energy: -69.684 tors. eta vs tors. theta energy: -127.326 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: 10 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1056.235109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.235109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.235109 (E_RNA) where: Base-Base interactions energy: -615.171 where: short stacking energy: -306.613 Base-Backbone interact. energy: 1.664 local terms energy: -442.728691 where: bonds (distance) C4'-P energy: -102.938 bonds (distance) P-C4' energy: -113.051 flat angles C4'-P-C4' energy: -101.327 flat angles P-C4'-P energy: -69.350 tors. eta vs tors. theta energy: -56.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -896.251142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.251142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.251142 (E_RNA) where: Base-Base interactions energy: -485.114 where: short stacking energy: -233.580 Base-Backbone interact. energy: -2.813 local terms energy: -408.324670 where: bonds (distance) C4'-P energy: -95.920 bonds (distance) P-C4' energy: -106.544 flat angles C4'-P-C4' energy: -116.771 flat angles P-C4'-P energy: -62.935 tors. eta vs tors. theta energy: -26.155 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: 8 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -604.083877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.083877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.083877 (E_RNA) where: Base-Base interactions energy: -229.794 where: short stacking energy: -152.903 Base-Backbone interact. energy: 1.241 local terms energy: -375.530585 where: bonds (distance) C4'-P energy: -115.995 bonds (distance) P-C4' energy: -100.973 flat angles C4'-P-C4' energy: -102.842 flat angles P-C4'-P energy: -56.931 tors. eta vs tors. theta energy: 1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -498.653294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.653294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.653294 (E_RNA) where: Base-Base interactions energy: -197.678 where: short stacking energy: -127.228 Base-Backbone interact. energy: -1.606 local terms energy: -299.369264 where: bonds (distance) C4'-P energy: -103.864 bonds (distance) P-C4' energy: -98.173 flat angles C4'-P-C4' energy: -89.954 flat angles P-C4'-P energy: -37.626 tors. eta vs tors. theta energy: 30.249 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: 7 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2116.976571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.976571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.976571 (E_RNA) where: Base-Base interactions energy: -1458.807 where: short stacking energy: -579.156 Base-Backbone interact. energy: -0.997 local terms energy: -657.172667 where: bonds (distance) C4'-P energy: -116.824 bonds (distance) P-C4' energy: -126.974 flat angles C4'-P-C4' energy: -148.195 flat angles P-C4'-P energy: -89.911 tors. eta vs tors. theta energy: -175.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2002.569600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.569600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.569600 (E_RNA) where: Base-Base interactions energy: -1365.465 where: short stacking energy: -575.109 Base-Backbone interact. energy: -1.388 local terms energy: -635.716946 where: bonds (distance) C4'-P energy: -120.714 bonds (distance) P-C4' energy: -124.356 flat angles C4'-P-C4' energy: -128.000 flat angles P-C4'-P energy: -90.936 tors. eta vs tors. theta energy: -171.711 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: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1999.195768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.195768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.195768 (E_RNA) where: Base-Base interactions energy: -1399.078 where: short stacking energy: -567.016 Base-Backbone interact. energy: -1.447 local terms energy: -598.670356 where: bonds (distance) C4'-P energy: -111.350 bonds (distance) P-C4' energy: -110.168 flat angles C4'-P-C4' energy: -126.286 flat angles P-C4'-P energy: -84.871 tors. eta vs tors. theta energy: -165.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1812.597111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.597111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.597111 (E_RNA) where: Base-Base interactions energy: -1231.658 where: short stacking energy: -493.973 Base-Backbone interact. energy: -2.722 local terms energy: -578.216211 where: bonds (distance) C4'-P energy: -98.126 bonds (distance) P-C4' energy: -114.213 flat angles C4'-P-C4' energy: -123.873 flat angles P-C4'-P energy: -94.857 tors. eta vs tors. theta energy: -147.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1598.599727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.599727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.599727 (E_RNA) where: Base-Base interactions energy: -1026.281 where: short stacking energy: -477.853 Base-Backbone interact. energy: -1.399 local terms energy: -570.920316 where: bonds (distance) C4'-P energy: -125.692 bonds (distance) P-C4' energy: -112.928 flat angles C4'-P-C4' energy: -119.662 flat angles P-C4'-P energy: -72.029 tors. eta vs tors. theta energy: -140.609 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: 274 Temperature: 1.150000 Total energy: -1515.054072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.054072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.054072 (E_RNA) where: Base-Base interactions energy: -966.572 where: short stacking energy: -440.427 Base-Backbone interact. energy: -1.363 local terms energy: -547.119182 where: bonds (distance) C4'-P energy: -105.950 bonds (distance) P-C4' energy: -119.094 flat angles C4'-P-C4' energy: -106.090 flat angles P-C4'-P energy: -81.162 tors. eta vs tors. theta energy: -134.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1099.326819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.326819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.326819 (E_RNA) where: Base-Base interactions energy: -682.238 where: short stacking energy: -334.749 Base-Backbone interact. energy: 8.271 local terms energy: -425.359712 where: bonds (distance) C4'-P energy: -102.963 bonds (distance) P-C4' energy: -105.584 flat angles C4'-P-C4' energy: -95.056 flat angles P-C4'-P energy: -66.191 tors. eta vs tors. theta energy: -55.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -834.897952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.897952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.897952 (E_RNA) where: Base-Base interactions energy: -450.188 where: short stacking energy: -235.674 Base-Backbone interact. energy: 4.235 local terms energy: -388.944411 where: bonds (distance) C4'-P energy: -94.785 bonds (distance) P-C4' energy: -107.029 flat angles C4'-P-C4' energy: -103.833 flat angles P-C4'-P energy: -57.867 tors. eta vs tors. theta energy: -25.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -645.719609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.719609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.719609 (E_RNA) where: Base-Base interactions energy: -271.587 where: short stacking energy: -173.018 Base-Backbone interact. energy: 0.749 local terms energy: -374.882448 where: bonds (distance) C4'-P energy: -101.373 bonds (distance) P-C4' energy: -126.556 flat angles C4'-P-C4' energy: -95.374 flat angles P-C4'-P energy: -55.529 tors. eta vs tors. theta energy: 3.950 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: 10, replica: 9 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -543.307114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.307114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.307114 (E_RNA) where: Base-Base interactions energy: -211.373 where: short stacking energy: -157.135 Base-Backbone interact. energy: 0.003 local terms energy: -331.937110 where: bonds (distance) C4'-P energy: -106.732 bonds (distance) P-C4' energy: -93.399 flat angles C4'-P-C4' energy: -91.503 flat angles P-C4'-P energy: -47.247 tors. eta vs tors. theta energy: 6.945 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: 7 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2103.775729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.775729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.775729 (E_RNA) where: Base-Base interactions energy: -1464.986 where: short stacking energy: -601.737 Base-Backbone interact. energy: -2.363 local terms energy: -636.426294 where: bonds (distance) C4'-P energy: -102.540 bonds (distance) P-C4' energy: -123.808 flat angles C4'-P-C4' energy: -139.099 flat angles P-C4'-P energy: -97.557 tors. eta vs tors. theta energy: -173.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2025.172762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.172762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.172762 (E_RNA) where: Base-Base interactions energy: -1375.122 where: short stacking energy: -570.529 Base-Backbone interact. energy: -3.491 local terms energy: -646.559108 where: bonds (distance) C4'-P energy: -127.450 bonds (distance) P-C4' energy: -109.767 flat angles C4'-P-C4' energy: -135.780 flat angles P-C4'-P energy: -101.296 tors. eta vs tors. theta energy: -172.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2010.572241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.572241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.572241 (E_RNA) where: Base-Base interactions energy: -1407.264 where: short stacking energy: -561.011 Base-Backbone interact. energy: -2.756 local terms energy: -600.552550 where: bonds (distance) C4'-P energy: -122.492 bonds (distance) P-C4' energy: -116.580 flat angles C4'-P-C4' energy: -135.876 flat angles P-C4'-P energy: -69.276 tors. eta vs tors. theta energy: -156.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1818.112530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.112530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.112530 (E_RNA) where: Base-Base interactions energy: -1228.020 where: short stacking energy: -501.087 Base-Backbone interact. energy: 0.202 local terms energy: -590.294512 where: bonds (distance) C4'-P energy: -108.904 bonds (distance) P-C4' energy: -132.081 flat angles C4'-P-C4' energy: -132.692 flat angles P-C4'-P energy: -72.931 tors. eta vs tors. theta energy: -143.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1571.368102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.368102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.368102 (E_RNA) where: Base-Base interactions energy: -1019.289 where: short stacking energy: -468.148 Base-Backbone interact. energy: 4.564 local terms energy: -556.643277 where: bonds (distance) C4'-P energy: -110.254 bonds (distance) P-C4' energy: -116.683 flat angles C4'-P-C4' energy: -108.178 flat angles P-C4'-P energy: -90.566 tors. eta vs tors. theta energy: -130.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1476.412577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.412577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.412577 (E_RNA) where: Base-Base interactions energy: -975.174 where: short stacking energy: -454.921 Base-Backbone interact. energy: 1.400 local terms energy: -502.638423 where: bonds (distance) C4'-P energy: -94.636 bonds (distance) P-C4' energy: -101.729 flat angles C4'-P-C4' energy: -111.444 flat angles P-C4'-P energy: -69.228 tors. eta vs tors. theta energy: -125.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1181.385001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.385001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.385001 (E_RNA) where: Base-Base interactions energy: -736.293 where: short stacking energy: -312.909 Base-Backbone interact. energy: -1.706 local terms energy: -443.385664 where: bonds (distance) C4'-P energy: -100.677 bonds (distance) P-C4' energy: -111.311 flat angles C4'-P-C4' energy: -103.225 flat angles P-C4'-P energy: -63.691 tors. eta vs tors. theta energy: -64.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -874.200161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.200161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.200161 (E_RNA) where: Base-Base interactions energy: -513.801 where: short stacking energy: -215.903 Base-Backbone interact. energy: -2.139 local terms energy: -358.260450 where: bonds (distance) C4'-P energy: -89.614 bonds (distance) P-C4' energy: -96.513 flat angles C4'-P-C4' energy: -101.290 flat angles P-C4'-P energy: -68.202 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -624.807615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.807615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.807615 (E_RNA) where: Base-Base interactions energy: -280.294 where: short stacking energy: -170.929 Base-Backbone interact. energy: 0.772 local terms energy: -345.286100 where: bonds (distance) C4'-P energy: -100.806 bonds (distance) P-C4' energy: -105.356 flat angles C4'-P-C4' energy: -107.283 flat angles P-C4'-P energy: -35.847 tors. eta vs tors. theta energy: 4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -482.889442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.889442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.889442 (E_RNA) where: Base-Base interactions energy: -173.815 where: short stacking energy: -124.052 Base-Backbone interact. energy: -1.190 local terms energy: -307.884491 where: bonds (distance) C4'-P energy: -95.962 bonds (distance) P-C4' energy: -110.281 flat angles C4'-P-C4' energy: -78.917 flat angles P-C4'-P energy: -52.732 tors. eta vs tors. theta energy: 30.007 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: 7 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2112.260542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.260542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.260542 (E_RNA) where: Base-Base interactions energy: -1449.903 where: short stacking energy: -565.558 Base-Backbone interact. energy: -4.701 local terms energy: -657.657344 where: bonds (distance) C4'-P energy: -129.713 bonds (distance) P-C4' energy: -133.932 flat angles C4'-P-C4' energy: -134.030 flat angles P-C4'-P energy: -87.591 tors. eta vs tors. theta energy: -172.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2007.094488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.094488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.094488 (E_RNA) where: Base-Base interactions energy: -1340.459 where: short stacking energy: -563.900 Base-Backbone interact. energy: -1.609 local terms energy: -665.027009 where: bonds (distance) C4'-P energy: -130.098 bonds (distance) P-C4' energy: -135.364 flat angles C4'-P-C4' energy: -142.139 flat angles P-C4'-P energy: -91.478 tors. eta vs tors. theta energy: -165.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1991.575896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.575896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.575896 (E_RNA) where: Base-Base interactions energy: -1382.012 where: short stacking energy: -543.810 Base-Backbone interact. energy: 2.250 local terms energy: -611.813949 where: bonds (distance) C4'-P energy: -103.855 bonds (distance) P-C4' energy: -121.881 flat angles C4'-P-C4' energy: -135.981 flat angles P-C4'-P energy: -89.655 tors. eta vs tors. theta energy: -160.442 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: 3 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1803.017605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.017605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.017605 (E_RNA) where: Base-Base interactions energy: -1227.375 where: short stacking energy: -508.359 Base-Backbone interact. energy: -4.293 local terms energy: -571.348820 where: bonds (distance) C4'-P energy: -112.923 bonds (distance) P-C4' energy: -113.339 flat angles C4'-P-C4' energy: -116.984 flat angles P-C4'-P energy: -73.396 tors. eta vs tors. theta energy: -154.706 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: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1588.318458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.318458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.318458 (E_RNA) where: Base-Base interactions energy: -999.295 where: short stacking energy: -434.087 Base-Backbone interact. energy: 0.162 local terms energy: -589.184802 where: bonds (distance) C4'-P energy: -127.790 bonds (distance) P-C4' energy: -109.075 flat angles C4'-P-C4' energy: -134.052 flat angles P-C4'-P energy: -86.190 tors. eta vs tors. theta energy: -132.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1536.947192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.947192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.947192 (E_RNA) where: Base-Base interactions energy: -984.274 where: short stacking energy: -428.426 Base-Backbone interact. energy: -0.503 local terms energy: -552.169903 where: bonds (distance) C4'-P energy: -116.701 bonds (distance) P-C4' energy: -112.396 flat angles C4'-P-C4' energy: -120.979 flat angles P-C4'-P energy: -89.161 tors. eta vs tors. theta energy: -112.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1124.159802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.159802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.159802 (E_RNA) where: Base-Base interactions energy: -691.900 where: short stacking energy: -331.312 Base-Backbone interact. energy: -1.075 local terms energy: -431.184808 where: bonds (distance) C4'-P energy: -97.672 bonds (distance) P-C4' energy: -103.671 flat angles C4'-P-C4' energy: -106.692 flat angles P-C4'-P energy: -52.220 tors. eta vs tors. theta energy: -70.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -861.822257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.822257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.822257 (E_RNA) where: Base-Base interactions energy: -446.058 where: short stacking energy: -225.730 Base-Backbone interact. energy: 2.194 local terms energy: -417.957964 where: bonds (distance) C4'-P energy: -110.314 bonds (distance) P-C4' energy: -115.501 flat angles C4'-P-C4' energy: -99.213 flat angles P-C4'-P energy: -70.320 tors. eta vs tors. theta energy: -22.610 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: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -708.879222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.879222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.879222 (E_RNA) where: Base-Base interactions energy: -330.134 where: short stacking energy: -188.287 Base-Backbone interact. energy: -3.444 local terms energy: -375.300825 where: bonds (distance) C4'-P energy: -102.770 bonds (distance) P-C4' energy: -99.609 flat angles C4'-P-C4' energy: -96.054 flat angles P-C4'-P energy: -71.737 tors. eta vs tors. theta energy: -5.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -472.793534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.793534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.793534 (E_RNA) where: Base-Base interactions energy: -159.660 where: short stacking energy: -127.056 Base-Backbone interact. energy: -3.574 local terms energy: -309.560360 where: bonds (distance) C4'-P energy: -107.399 bonds (distance) P-C4' energy: -89.384 flat angles C4'-P-C4' energy: -90.469 flat angles P-C4'-P energy: -40.287 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: 1, replica: 7 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2147.720278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.720278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.720278 (E_RNA) where: Base-Base interactions energy: -1488.982 where: short stacking energy: -620.640 Base-Backbone interact. energy: -3.425 local terms energy: -655.313223 where: bonds (distance) C4'-P energy: -121.863 bonds (distance) P-C4' energy: -115.281 flat angles C4'-P-C4' energy: -144.041 flat angles P-C4'-P energy: -91.298 tors. eta vs tors. theta energy: -182.830 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: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2032.140192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.140192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.140192 (E_RNA) where: Base-Base interactions energy: -1382.541 where: short stacking energy: -577.814 Base-Backbone interact. energy: -5.878 local terms energy: -643.720906 where: bonds (distance) C4'-P energy: -111.913 bonds (distance) P-C4' energy: -111.312 flat angles C4'-P-C4' energy: -141.913 flat angles P-C4'-P energy: -100.155 tors. eta vs tors. theta energy: -178.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1971.824610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.824610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.824610 (E_RNA) where: Base-Base interactions energy: -1344.380 where: short stacking energy: -566.544 Base-Backbone interact. energy: -0.361 local terms energy: -627.084439 where: bonds (distance) C4'-P energy: -125.908 bonds (distance) P-C4' energy: -109.585 flat angles C4'-P-C4' energy: -141.418 flat angles P-C4'-P energy: -74.306 tors. eta vs tors. theta energy: -175.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1795.528217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.528217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.528217 (E_RNA) where: Base-Base interactions energy: -1224.764 where: short stacking energy: -507.020 Base-Backbone interact. energy: -3.343 local terms energy: -567.420915 where: bonds (distance) C4'-P energy: -114.347 bonds (distance) P-C4' energy: -115.094 flat angles C4'-P-C4' energy: -116.663 flat angles P-C4'-P energy: -69.367 tors. eta vs tors. theta energy: -151.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1602.167131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.167131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.167131 (E_RNA) where: Base-Base interactions energy: -1059.730 where: short stacking energy: -460.725 Base-Backbone interact. energy: -1.741 local terms energy: -540.696644 where: bonds (distance) C4'-P energy: -103.448 bonds (distance) P-C4' energy: -92.904 flat angles C4'-P-C4' energy: -129.047 flat angles P-C4'-P energy: -84.088 tors. eta vs tors. theta energy: -131.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1529.256258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.256258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.256258 (E_RNA) where: Base-Base interactions energy: -1006.241 where: short stacking energy: -453.409 Base-Backbone interact. energy: 2.532 local terms energy: -525.547254 where: bonds (distance) C4'-P energy: -113.622 bonds (distance) P-C4' energy: -102.044 flat angles C4'-P-C4' energy: -121.326 flat angles P-C4'-P energy: -71.733 tors. eta vs tors. theta energy: -116.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1107.300538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.300538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.300538 (E_RNA) where: Base-Base interactions energy: -684.919 where: short stacking energy: -304.131 Base-Backbone interact. energy: -1.635 local terms energy: -420.745974 where: bonds (distance) C4'-P energy: -105.411 bonds (distance) P-C4' energy: -101.508 flat angles C4'-P-C4' energy: -95.005 flat angles P-C4'-P energy: -81.300 tors. eta vs tors. theta energy: -37.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -857.566856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.566856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.566856 (E_RNA) where: Base-Base interactions energy: -463.005 where: short stacking energy: -234.362 Base-Backbone interact. energy: -1.510 local terms energy: -393.051132 where: bonds (distance) C4'-P energy: -88.765 bonds (distance) P-C4' energy: -105.806 flat angles C4'-P-C4' energy: -99.643 flat angles P-C4'-P energy: -71.100 tors. eta vs tors. theta energy: -27.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -638.272712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.272712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.272712 (E_RNA) where: Base-Base interactions energy: -295.301 where: short stacking energy: -177.013 Base-Backbone interact. energy: 8.674 local terms energy: -351.646565 where: bonds (distance) C4'-P energy: -97.808 bonds (distance) P-C4' energy: -112.351 flat angles C4'-P-C4' energy: -76.920 flat angles P-C4'-P energy: -62.931 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -448.637796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.637796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.637796 (E_RNA) where: Base-Base interactions energy: -133.149 where: short stacking energy: -114.961 Base-Backbone interact. energy: 6.320 local terms energy: -321.808633 where: bonds (distance) C4'-P energy: -107.919 bonds (distance) P-C4' energy: -95.687 flat angles C4'-P-C4' energy: -107.244 flat angles P-C4'-P energy: -48.446 tors. eta vs tors. theta energy: 37.488 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: 1, replica: 7 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2124.447779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.447779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.447779 (E_RNA) where: Base-Base interactions energy: -1460.552 where: short stacking energy: -593.100 Base-Backbone interact. energy: -2.576 local terms energy: -661.319537 where: bonds (distance) C4'-P energy: -128.493 bonds (distance) P-C4' energy: -114.788 flat angles C4'-P-C4' energy: -139.408 flat angles P-C4'-P energy: -93.297 tors. eta vs tors. theta energy: -185.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1995.758914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.758914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.758914 (E_RNA) where: Base-Base interactions energy: -1383.349 where: short stacking energy: -573.239 Base-Backbone interact. energy: -2.682 local terms energy: -609.728349 where: bonds (distance) C4'-P energy: -107.961 bonds (distance) P-C4' energy: -116.824 flat angles C4'-P-C4' energy: -127.698 flat angles P-C4'-P energy: -93.401 tors. eta vs tors. theta energy: -163.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1896.140203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.140203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.140203 (E_RNA) where: Base-Base interactions energy: -1280.872 where: short stacking energy: -551.930 Base-Backbone interact. energy: -0.354 local terms energy: -614.913294 where: bonds (distance) C4'-P energy: -119.793 bonds (distance) P-C4' energy: -117.262 flat angles C4'-P-C4' energy: -126.010 flat angles P-C4'-P energy: -84.863 tors. eta vs tors. theta energy: -166.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1787.902796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.902796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.902796 (E_RNA) where: Base-Base interactions energy: -1174.707 where: short stacking energy: -486.069 Base-Backbone interact. energy: -1.313 local terms energy: -611.883302 where: bonds (distance) C4'-P energy: -117.363 bonds (distance) P-C4' energy: -126.584 flat angles C4'-P-C4' energy: -135.827 flat angles P-C4'-P energy: -84.823 tors. eta vs tors. theta energy: -147.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1584.766455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.766455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.766455 (E_RNA) where: Base-Base interactions energy: -1038.562 where: short stacking energy: -423.726 Base-Backbone interact. energy: -5.135 local terms energy: -541.069325 where: bonds (distance) C4'-P energy: -117.772 bonds (distance) P-C4' energy: -120.055 flat angles C4'-P-C4' energy: -122.717 flat angles P-C4'-P energy: -70.066 tors. eta vs tors. theta energy: -110.460 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: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1541.627933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.627933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.627933 (E_RNA) where: Base-Base interactions energy: -1026.770 where: short stacking energy: -454.026 Base-Backbone interact. energy: -0.999 local terms energy: -513.859095 where: bonds (distance) C4'-P energy: -94.677 bonds (distance) P-C4' energy: -117.754 flat angles C4'-P-C4' energy: -115.066 flat angles P-C4'-P energy: -65.988 tors. eta vs tors. theta energy: -120.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1210.118336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.118336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.118336 (E_RNA) where: Base-Base interactions energy: -786.088 where: short stacking energy: -343.773 Base-Backbone interact. energy: -1.158 local terms energy: -422.871525 where: bonds (distance) C4'-P energy: -77.055 bonds (distance) P-C4' energy: -115.188 flat angles C4'-P-C4' energy: -91.184 flat angles P-C4'-P energy: -74.655 tors. eta vs tors. theta energy: -64.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -900.310056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.310056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.310056 (E_RNA) where: Base-Base interactions energy: -490.945 where: short stacking energy: -246.987 Base-Backbone interact. energy: -2.113 local terms energy: -407.252280 where: bonds (distance) C4'-P energy: -112.116 bonds (distance) P-C4' energy: -108.644 flat angles C4'-P-C4' energy: -88.730 flat angles P-C4'-P energy: -63.141 tors. eta vs tors. theta energy: -34.621 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: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -633.759803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.759803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.759803 (E_RNA) where: Base-Base interactions energy: -275.470 where: short stacking energy: -184.338 Base-Backbone interact. energy: -1.463 local terms energy: -356.827407 where: bonds (distance) C4'-P energy: -101.580 bonds (distance) P-C4' energy: -105.102 flat angles C4'-P-C4' energy: -108.187 flat angles P-C4'-P energy: -45.824 tors. eta vs tors. theta energy: 3.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -497.985870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.985870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.985870 (E_RNA) where: Base-Base interactions energy: -187.295 where: short stacking energy: -156.251 Base-Backbone interact. energy: 0.468 local terms energy: -311.159283 where: bonds (distance) C4'-P energy: -93.597 bonds (distance) P-C4' energy: -109.658 flat angles C4'-P-C4' energy: -84.502 flat angles P-C4'-P energy: -32.869 tors. eta vs tors. theta energy: 9.466 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: 7 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2148.358251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.358251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.358251 (E_RNA) where: Base-Base interactions energy: -1496.574 where: short stacking energy: -633.615 Base-Backbone interact. energy: 2.433 local terms energy: -654.217376 where: bonds (distance) C4'-P energy: -114.346 bonds (distance) P-C4' energy: -130.206 flat angles C4'-P-C4' energy: -144.076 flat angles P-C4'-P energy: -85.458 tors. eta vs tors. theta energy: -180.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2072.980921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.980921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.980921 (E_RNA) where: Base-Base interactions energy: -1427.038 where: short stacking energy: -567.087 Base-Backbone interact. energy: -2.383 local terms energy: -643.560135 where: bonds (distance) C4'-P energy: -116.099 bonds (distance) P-C4' energy: -137.059 flat angles C4'-P-C4' energy: -136.047 flat angles P-C4'-P energy: -97.907 tors. eta vs tors. theta energy: -156.447 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: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1912.288288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.288288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.288288 (E_RNA) where: Base-Base interactions energy: -1306.205 where: short stacking energy: -543.924 Base-Backbone interact. energy: -2.311 local terms energy: -603.772537 where: bonds (distance) C4'-P energy: -106.560 bonds (distance) P-C4' energy: -122.149 flat angles C4'-P-C4' energy: -133.788 flat angles P-C4'-P energy: -74.973 tors. eta vs tors. theta energy: -166.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1810.372290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.372290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.372290 (E_RNA) where: Base-Base interactions energy: -1234.816 where: short stacking energy: -505.535 Base-Backbone interact. energy: -1.770 local terms energy: -573.786811 where: bonds (distance) C4'-P energy: -92.398 bonds (distance) P-C4' energy: -117.738 flat angles C4'-P-C4' energy: -133.622 flat angles P-C4'-P energy: -90.484 tors. eta vs tors. theta energy: -139.544 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: 4 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1651.903302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.903302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.903302 (E_RNA) where: Base-Base interactions energy: -1102.011 where: short stacking energy: -464.465 Base-Backbone interact. energy: -1.854 local terms energy: -548.037845 where: bonds (distance) C4'-P energy: -94.977 bonds (distance) P-C4' energy: -113.241 flat angles C4'-P-C4' energy: -125.243 flat angles P-C4'-P energy: -79.095 tors. eta vs tors. theta energy: -135.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1569.775061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.775061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.775061 (E_RNA) where: Base-Base interactions energy: -1039.820 where: short stacking energy: -458.989 Base-Backbone interact. energy: -1.912 local terms energy: -528.043630 where: bonds (distance) C4'-P energy: -100.389 bonds (distance) P-C4' energy: -106.514 flat angles C4'-P-C4' energy: -127.298 flat angles P-C4'-P energy: -67.916 tors. eta vs tors. theta energy: -125.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1267.613182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.613182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.613182 (E_RNA) where: Base-Base interactions energy: -798.666 where: short stacking energy: -348.385 Base-Backbone interact. energy: -3.752 local terms energy: -465.195460 where: bonds (distance) C4'-P energy: -110.089 bonds (distance) P-C4' energy: -113.871 flat angles C4'-P-C4' energy: -97.825 flat angles P-C4'-P energy: -69.905 tors. eta vs tors. theta energy: -73.505 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: 6 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -869.797299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.797299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.797299 (E_RNA) where: Base-Base interactions energy: -480.136 where: short stacking energy: -221.286 Base-Backbone interact. energy: 1.178 local terms energy: -390.839173 where: bonds (distance) C4'-P energy: -99.749 bonds (distance) P-C4' energy: -102.264 flat angles C4'-P-C4' energy: -105.906 flat angles P-C4'-P energy: -62.731 tors. eta vs tors. theta energy: -20.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -617.379107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.379107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.379107 (E_RNA) where: Base-Base interactions energy: -242.133 where: short stacking energy: -170.574 Base-Backbone interact. energy: 0.216 local terms energy: -375.462457 where: bonds (distance) C4'-P energy: -113.308 bonds (distance) P-C4' energy: -131.029 flat angles C4'-P-C4' energy: -97.196 flat angles P-C4'-P energy: -50.702 tors. eta vs tors. theta energy: 16.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -483.988478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.988478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.988478 (E_RNA) where: Base-Base interactions energy: -166.217 where: short stacking energy: -149.273 Base-Backbone interact. energy: 6.102 local terms energy: -323.873416 where: bonds (distance) C4'-P energy: -96.041 bonds (distance) P-C4' energy: -97.217 flat angles C4'-P-C4' energy: -88.093 flat angles P-C4'-P energy: -59.548 tors. eta vs tors. theta energy: 17.026 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: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2134.473654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.473654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.473654 (E_RNA) where: Base-Base interactions energy: -1483.931 where: short stacking energy: -603.191 Base-Backbone interact. energy: -4.921 local terms energy: -645.622126 where: bonds (distance) C4'-P energy: -119.460 bonds (distance) P-C4' energy: -118.807 flat angles C4'-P-C4' energy: -138.099 flat angles P-C4'-P energy: -89.240 tors. eta vs tors. theta energy: -180.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2079.693728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.693728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.693728 (E_RNA) where: Base-Base interactions energy: -1439.408 where: short stacking energy: -570.280 Base-Backbone interact. energy: -2.260 local terms energy: -638.025780 where: bonds (distance) C4'-P energy: -130.018 bonds (distance) P-C4' energy: -113.496 flat angles C4'-P-C4' energy: -135.127 flat angles P-C4'-P energy: -91.265 tors. eta vs tors. theta energy: -168.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1951.689134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.689134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.689134 (E_RNA) where: Base-Base interactions energy: -1363.900 where: short stacking energy: -582.285 Base-Backbone interact. energy: -2.780 local terms energy: -585.008888 where: bonds (distance) C4'-P energy: -111.258 bonds (distance) P-C4' energy: -99.342 flat angles C4'-P-C4' energy: -126.735 flat angles P-C4'-P energy: -88.953 tors. eta vs tors. theta energy: -158.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1768.721759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.721759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.721759 (E_RNA) where: Base-Base interactions energy: -1214.211 where: short stacking energy: -474.505 Base-Backbone interact. energy: -3.313 local terms energy: -551.196942 where: bonds (distance) C4'-P energy: -101.349 bonds (distance) P-C4' energy: -105.321 flat angles C4'-P-C4' energy: -112.678 flat angles P-C4'-P energy: -91.164 tors. eta vs tors. theta energy: -140.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1662.289713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.289713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.289713 (E_RNA) where: Base-Base interactions energy: -1106.084 where: short stacking energy: -489.479 Base-Backbone interact. energy: -1.235 local terms energy: -554.971314 where: bonds (distance) C4'-P energy: -104.420 bonds (distance) P-C4' energy: -112.555 flat angles C4'-P-C4' energy: -116.307 flat angles P-C4'-P energy: -87.907 tors. eta vs tors. theta energy: -133.783 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: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1595.282805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.282805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.282805 (E_RNA) where: Base-Base interactions energy: -1066.724 where: short stacking energy: -450.670 Base-Backbone interact. energy: -1.870 local terms energy: -526.688026 where: bonds (distance) C4'-P energy: -84.825 bonds (distance) P-C4' energy: -105.699 flat angles C4'-P-C4' energy: -117.848 flat angles P-C4'-P energy: -83.503 tors. eta vs tors. theta energy: -134.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1260.442779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.442779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.442779 (E_RNA) where: Base-Base interactions energy: -783.591 where: short stacking energy: -345.256 Base-Backbone interact. energy: -4.139 local terms energy: -472.711879 where: bonds (distance) C4'-P energy: -114.564 bonds (distance) P-C4' energy: -104.658 flat angles C4'-P-C4' energy: -110.459 flat angles P-C4'-P energy: -76.853 tors. eta vs tors. theta energy: -66.179 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: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -875.377069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.377069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.377069 (E_RNA) where: Base-Base interactions energy: -496.402 where: short stacking energy: -253.150 Base-Backbone interact. energy: 3.896 local terms energy: -382.871164 where: bonds (distance) C4'-P energy: -104.448 bonds (distance) P-C4' energy: -111.890 flat angles C4'-P-C4' energy: -83.988 flat angles P-C4'-P energy: -63.953 tors. eta vs tors. theta energy: -18.591 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: 8 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -619.957820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.957820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.957820 (E_RNA) where: Base-Base interactions energy: -271.719 where: short stacking energy: -182.311 Base-Backbone interact. energy: 2.859 local terms energy: -351.098353 where: bonds (distance) C4'-P energy: -82.538 bonds (distance) P-C4' energy: -116.212 flat angles C4'-P-C4' energy: -87.140 flat angles P-C4'-P energy: -58.227 tors. eta vs tors. theta energy: -6.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -474.614223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.614223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.614223 (E_RNA) where: Base-Base interactions energy: -171.193 where: short stacking energy: -142.026 Base-Backbone interact. energy: 0.445 local terms energy: -303.866901 where: bonds (distance) C4'-P energy: -110.144 bonds (distance) P-C4' energy: -91.005 flat angles C4'-P-C4' energy: -80.617 flat angles P-C4'-P energy: -37.515 tors. eta vs tors. theta energy: 15.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2166.680135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.680135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.680135 (E_RNA) where: Base-Base interactions energy: -1475.775 where: short stacking energy: -600.542 Base-Backbone interact. energy: -2.481 local terms energy: -688.424052 where: bonds (distance) C4'-P energy: -124.911 bonds (distance) P-C4' energy: -124.031 flat angles C4'-P-C4' energy: -149.192 flat angles P-C4'-P energy: -101.545 tors. eta vs tors. theta energy: -188.745 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: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2097.716953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.716953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.716953 (E_RNA) where: Base-Base interactions energy: -1452.373 where: short stacking energy: -594.099 Base-Backbone interact. energy: -0.099 local terms energy: -645.243996 where: bonds (distance) C4'-P energy: -121.328 bonds (distance) P-C4' energy: -114.823 flat angles C4'-P-C4' energy: -137.459 flat angles P-C4'-P energy: -86.353 tors. eta vs tors. theta energy: -185.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1934.668267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.668267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.668267 (E_RNA) where: Base-Base interactions energy: -1340.133 where: short stacking energy: -568.427 Base-Backbone interact. energy: -2.380 local terms energy: -592.154853 where: bonds (distance) C4'-P energy: -109.304 bonds (distance) P-C4' energy: -114.486 flat angles C4'-P-C4' energy: -120.245 flat angles P-C4'-P energy: -73.898 tors. eta vs tors. theta energy: -174.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1812.138244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.138244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.138244 (E_RNA) where: Base-Base interactions energy: -1237.287 where: short stacking energy: -499.785 Base-Backbone interact. energy: 1.135 local terms energy: -575.986566 where: bonds (distance) C4'-P energy: -98.365 bonds (distance) P-C4' energy: -124.386 flat angles C4'-P-C4' energy: -129.666 flat angles P-C4'-P energy: -73.222 tors. eta vs tors. theta energy: -150.347 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: 4 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1638.829065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.829065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.829065 (E_RNA) where: Base-Base interactions energy: -1100.354 where: short stacking energy: -444.822 Base-Backbone interact. energy: -2.540 local terms energy: -535.935083 where: bonds (distance) C4'-P energy: -110.653 bonds (distance) P-C4' energy: -109.451 flat angles C4'-P-C4' energy: -105.733 flat angles P-C4'-P energy: -81.575 tors. eta vs tors. theta energy: -128.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1569.562232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.562232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.562232 (E_RNA) where: Base-Base interactions energy: -998.167 where: short stacking energy: -441.196 Base-Backbone interact. energy: -2.735 local terms energy: -568.659692 where: bonds (distance) C4'-P energy: -110.608 bonds (distance) P-C4' energy: -108.398 flat angles C4'-P-C4' energy: -135.390 flat angles P-C4'-P energy: -76.171 tors. eta vs tors. theta energy: -138.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1148.128493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.128493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.128493 (E_RNA) where: Base-Base interactions energy: -713.194 where: short stacking energy: -308.256 Base-Backbone interact. energy: -3.820 local terms energy: -431.115297 where: bonds (distance) C4'-P energy: -94.490 bonds (distance) P-C4' energy: -107.013 flat angles C4'-P-C4' energy: -90.160 flat angles P-C4'-P energy: -73.653 tors. eta vs tors. theta energy: -65.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -880.665498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.665498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.665498 (E_RNA) where: Base-Base interactions energy: -487.118 where: short stacking energy: -243.004 Base-Backbone interact. energy: -1.869 local terms energy: -391.679141 where: bonds (distance) C4'-P energy: -101.499 bonds (distance) P-C4' energy: -105.730 flat angles C4'-P-C4' energy: -97.109 flat angles P-C4'-P energy: -61.658 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: 9, replica: 8 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -591.938338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.938338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.938338 (E_RNA) where: Base-Base interactions energy: -281.298 where: short stacking energy: -165.584 Base-Backbone interact. energy: 3.683 local terms energy: -314.323058 where: bonds (distance) C4'-P energy: -95.233 bonds (distance) P-C4' energy: -92.826 flat angles C4'-P-C4' energy: -78.608 flat angles P-C4'-P energy: -46.828 tors. eta vs tors. theta energy: -0.829 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: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -533.074828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.074828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.074828 (E_RNA) where: Base-Base interactions energy: -196.259 where: short stacking energy: -137.702 Base-Backbone interact. energy: 2.214 local terms energy: -339.029955 where: bonds (distance) C4'-P energy: -89.145 bonds (distance) P-C4' energy: -109.296 flat angles C4'-P-C4' energy: -98.634 flat angles P-C4'-P energy: -59.209 tors. eta vs tors. theta energy: 17.253 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: 7 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2170.637489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.637489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.637489 (E_RNA) where: Base-Base interactions energy: -1485.667 where: short stacking energy: -636.142 Base-Backbone interact. energy: -3.777 local terms energy: -681.193481 where: bonds (distance) C4'-P energy: -120.164 bonds (distance) P-C4' energy: -125.736 flat angles C4'-P-C4' energy: -149.330 flat angles P-C4'-P energy: -89.405 tors. eta vs tors. theta energy: -196.559 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: 2, replica: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2084.102671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.102671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.102671 (E_RNA) where: Base-Base interactions energy: -1445.428 where: short stacking energy: -592.402 Base-Backbone interact. energy: -3.727 local terms energy: -634.947218 where: bonds (distance) C4'-P energy: -120.526 bonds (distance) P-C4' energy: -125.536 flat angles C4'-P-C4' energy: -129.657 flat angles P-C4'-P energy: -84.066 tors. eta vs tors. theta energy: -175.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1924.556618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.556618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.556618 (E_RNA) where: Base-Base interactions energy: -1296.590 where: short stacking energy: -566.027 Base-Backbone interact. energy: -0.533 local terms energy: -627.433935 where: bonds (distance) C4'-P energy: -106.704 bonds (distance) P-C4' energy: -116.885 flat angles C4'-P-C4' energy: -139.180 flat angles P-C4'-P energy: -94.884 tors. eta vs tors. theta energy: -169.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1840.998513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.998513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.998513 (E_RNA) where: Base-Base interactions energy: -1247.751 where: short stacking energy: -512.579 Base-Backbone interact. energy: 0.801 local terms energy: -594.049294 where: bonds (distance) C4'-P energy: -113.615 bonds (distance) P-C4' energy: -121.924 flat angles C4'-P-C4' energy: -133.787 flat angles P-C4'-P energy: -78.336 tors. eta vs tors. theta energy: -146.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1643.338120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.338120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.338120 (E_RNA) where: Base-Base interactions energy: -1115.054 where: short stacking energy: -483.091 Base-Backbone interact. energy: -0.648 local terms energy: -527.636052 where: bonds (distance) C4'-P energy: -89.959 bonds (distance) P-C4' energy: -109.201 flat angles C4'-P-C4' energy: -120.434 flat angles P-C4'-P energy: -69.586 tors. eta vs tors. theta energy: -138.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1565.329235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.329235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.329235 (E_RNA) where: Base-Base interactions energy: -1016.068 where: short stacking energy: -436.557 Base-Backbone interact. energy: -0.238 local terms energy: -549.023874 where: bonds (distance) C4'-P energy: -116.274 bonds (distance) P-C4' energy: -121.611 flat angles C4'-P-C4' energy: -129.190 flat angles P-C4'-P energy: -69.820 tors. eta vs tors. theta energy: -112.129 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: 10 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1247.583818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.583818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.583818 (E_RNA) where: Base-Base interactions energy: -778.612 where: short stacking energy: -344.273 Base-Backbone interact. energy: -1.686 local terms energy: -467.285985 where: bonds (distance) C4'-P energy: -104.588 bonds (distance) P-C4' energy: -114.534 flat angles C4'-P-C4' energy: -107.875 flat angles P-C4'-P energy: -68.908 tors. eta vs tors. theta energy: -71.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -911.935616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.935616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.935616 (E_RNA) where: Base-Base interactions energy: -486.276 where: short stacking energy: -251.539 Base-Backbone interact. energy: -0.129 local terms energy: -425.530719 where: bonds (distance) C4'-P energy: -115.597 bonds (distance) P-C4' energy: -106.605 flat angles C4'-P-C4' energy: -99.946 flat angles P-C4'-P energy: -66.673 tors. eta vs tors. theta energy: -36.709 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: 8 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -649.733016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.733016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.733016 (E_RNA) where: Base-Base interactions energy: -298.020 where: short stacking energy: -198.925 Base-Backbone interact. energy: 0.772 local terms energy: -352.485208 where: bonds (distance) C4'-P energy: -106.694 bonds (distance) P-C4' energy: -94.740 flat angles C4'-P-C4' energy: -86.217 flat angles P-C4'-P energy: -46.305 tors. eta vs tors. theta energy: -18.530 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: 10, replica: 9 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -575.568985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.568985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.568985 (E_RNA) where: Base-Base interactions energy: -273.770 where: short stacking energy: -158.608 Base-Backbone interact. energy: 2.785 local terms energy: -304.583445 where: bonds (distance) C4'-P energy: -79.991 bonds (distance) P-C4' energy: -89.648 flat angles C4'-P-C4' energy: -73.312 flat angles P-C4'-P energy: -63.217 tors. eta vs tors. theta energy: 1.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2145.252351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.252351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.252351 (E_RNA) where: Base-Base interactions energy: -1496.072 where: short stacking energy: -613.029 Base-Backbone interact. energy: -1.894 local terms energy: -647.285903 where: bonds (distance) C4'-P energy: -122.929 bonds (distance) P-C4' energy: -117.515 flat angles C4'-P-C4' energy: -136.444 flat angles P-C4'-P energy: -83.434 tors. eta vs tors. theta energy: -186.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2074.285692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.285692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.285692 (E_RNA) where: Base-Base interactions energy: -1448.091 where: short stacking energy: -591.179 Base-Backbone interact. energy: -2.025 local terms energy: -624.169787 where: bonds (distance) C4'-P energy: -116.907 bonds (distance) P-C4' energy: -129.219 flat angles C4'-P-C4' energy: -122.160 flat angles P-C4'-P energy: -79.012 tors. eta vs tors. theta energy: -176.872 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: 3, replica: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1912.697938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.697938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.697938 (E_RNA) where: Base-Base interactions energy: -1278.585 where: short stacking energy: -546.513 Base-Backbone interact. energy: 0.263 local terms energy: -634.376399 where: bonds (distance) C4'-P energy: -121.739 bonds (distance) P-C4' energy: -116.271 flat angles C4'-P-C4' energy: -136.850 flat angles P-C4'-P energy: -88.609 tors. eta vs tors. theta energy: -170.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1810.709506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.709506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.709506 (E_RNA) where: Base-Base interactions energy: -1248.187 where: short stacking energy: -537.473 Base-Backbone interact. energy: -3.587 local terms energy: -558.935074 where: bonds (distance) C4'-P energy: -106.428 bonds (distance) P-C4' energy: -107.400 flat angles C4'-P-C4' energy: -130.663 flat angles P-C4'-P energy: -71.088 tors. eta vs tors. theta energy: -143.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1672.666325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.666325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.666325 (E_RNA) where: Base-Base interactions energy: -1129.222 where: short stacking energy: -477.735 Base-Backbone interact. energy: -1.460 local terms energy: -541.983963 where: bonds (distance) C4'-P energy: -101.134 bonds (distance) P-C4' energy: -117.316 flat angles C4'-P-C4' energy: -121.886 flat angles P-C4'-P energy: -55.880 tors. eta vs tors. theta energy: -145.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1568.979368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.979368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.979368 (E_RNA) where: Base-Base interactions energy: -1032.233 where: short stacking energy: -450.090 Base-Backbone interact. energy: 0.905 local terms energy: -537.650900 where: bonds (distance) C4'-P energy: -116.567 bonds (distance) P-C4' energy: -92.431 flat angles C4'-P-C4' energy: -122.728 flat angles P-C4'-P energy: -75.229 tors. eta vs tors. theta energy: -130.697 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: 10 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1227.755711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.755711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.755711 (E_RNA) where: Base-Base interactions energy: -792.104 where: short stacking energy: -330.703 Base-Backbone interact. energy: -0.272 local terms energy: -435.379208 where: bonds (distance) C4'-P energy: -90.152 bonds (distance) P-C4' energy: -121.803 flat angles C4'-P-C4' energy: -113.124 flat angles P-C4'-P energy: -55.459 tors. eta vs tors. theta energy: -54.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -885.860189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.860189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.860189 (E_RNA) where: Base-Base interactions energy: -479.317 where: short stacking energy: -270.534 Base-Backbone interact. energy: 7.706 local terms energy: -414.249258 where: bonds (distance) C4'-P energy: -72.628 bonds (distance) P-C4' energy: -122.331 flat angles C4'-P-C4' energy: -110.523 flat angles P-C4'-P energy: -57.021 tors. eta vs tors. theta energy: -51.745 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: 8 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -625.584914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.584914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.584914 (E_RNA) where: Base-Base interactions energy: -289.265 where: short stacking energy: -161.748 Base-Backbone interact. energy: -1.029 local terms energy: -335.291031 where: bonds (distance) C4'-P energy: -89.291 bonds (distance) P-C4' energy: -112.827 flat angles C4'-P-C4' energy: -93.505 flat angles P-C4'-P energy: -43.764 tors. eta vs tors. theta energy: 4.095 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: 9 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -611.801121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.801121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.801121 (E_RNA) where: Base-Base interactions energy: -300.847 where: short stacking energy: -191.651 Base-Backbone interact. energy: -1.226 local terms energy: -309.728768 where: bonds (distance) C4'-P energy: -95.539 bonds (distance) P-C4' energy: -97.176 flat angles C4'-P-C4' energy: -70.950 flat angles P-C4'-P energy: -44.558 tors. eta vs tors. theta energy: -1.506 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: 7 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2149.328202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.328202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.328202 (E_RNA) where: Base-Base interactions energy: -1468.719 where: short stacking energy: -619.889 Base-Backbone interact. energy: -2.734 local terms energy: -677.874752 where: bonds (distance) C4'-P energy: -107.971 bonds (distance) P-C4' energy: -129.334 flat angles C4'-P-C4' energy: -145.259 flat angles P-C4'-P energy: -106.570 tors. eta vs tors. theta energy: -188.740 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: 2, replica: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2070.597484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.597484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.597484 (E_RNA) where: Base-Base interactions energy: -1449.468 where: short stacking energy: -588.682 Base-Backbone interact. energy: -1.011 local terms energy: -620.117771 where: bonds (distance) C4'-P energy: -109.627 bonds (distance) P-C4' energy: -109.058 flat angles C4'-P-C4' energy: -138.475 flat angles P-C4'-P energy: -82.087 tors. eta vs tors. theta energy: -180.871 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: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1893.271016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.271016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.271016 (E_RNA) where: Base-Base interactions energy: -1292.315 where: short stacking energy: -541.743 Base-Backbone interact. energy: -2.354 local terms energy: -598.601804 where: bonds (distance) C4'-P energy: -120.712 bonds (distance) P-C4' energy: -112.889 flat angles C4'-P-C4' energy: -123.205 flat angles P-C4'-P energy: -86.146 tors. eta vs tors. theta energy: -155.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1838.750080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.750080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.750080 (E_RNA) where: Base-Base interactions energy: -1232.099 where: short stacking energy: -499.875 Base-Backbone interact. energy: 2.008 local terms energy: -608.659338 where: bonds (distance) C4'-P energy: -114.528 bonds (distance) P-C4' energy: -123.989 flat angles C4'-P-C4' energy: -134.270 flat angles P-C4'-P energy: -79.994 tors. eta vs tors. theta energy: -155.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1704.075644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.075644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.075644 (E_RNA) where: Base-Base interactions energy: -1139.834 where: short stacking energy: -483.206 Base-Backbone interact. energy: -1.221 local terms energy: -563.020130 where: bonds (distance) C4'-P energy: -114.177 bonds (distance) P-C4' energy: -114.683 flat angles C4'-P-C4' energy: -119.599 flat angles P-C4'-P energy: -68.967 tors. eta vs tors. theta energy: -145.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1558.560717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.560717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.560717 (E_RNA) where: Base-Base interactions energy: -1044.062 where: short stacking energy: -453.768 Base-Backbone interact. energy: -1.179 local terms energy: -513.319935 where: bonds (distance) C4'-P energy: -101.267 bonds (distance) P-C4' energy: -109.430 flat angles C4'-P-C4' energy: -105.969 flat angles P-C4'-P energy: -59.071 tors. eta vs tors. theta energy: -137.582 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: 7, replica: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1207.134593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.134593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.134593 (E_RNA) where: Base-Base interactions energy: -728.228 where: short stacking energy: -344.851 Base-Backbone interact. energy: -3.160 local terms energy: -475.747092 where: bonds (distance) C4'-P energy: -96.382 bonds (distance) P-C4' energy: -130.980 flat angles C4'-P-C4' energy: -110.050 flat angles P-C4'-P energy: -67.911 tors. eta vs tors. theta energy: -70.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -957.623523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.623523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.623523 (E_RNA) where: Base-Base interactions energy: -535.934 where: short stacking energy: -242.680 Base-Backbone interact. energy: -1.420 local terms energy: -420.269436 where: bonds (distance) C4'-P energy: -98.555 bonds (distance) P-C4' energy: -108.662 flat angles C4'-P-C4' energy: -106.786 flat angles P-C4'-P energy: -63.749 tors. eta vs tors. theta energy: -42.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -664.820850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.820850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.820850 (E_RNA) where: Base-Base interactions energy: -302.929 where: short stacking energy: -186.720 Base-Backbone interact. energy: 0.005 local terms energy: -361.896862 where: bonds (distance) C4'-P energy: -93.010 bonds (distance) P-C4' energy: -105.652 flat angles C4'-P-C4' energy: -95.347 flat angles P-C4'-P energy: -60.637 tors. eta vs tors. theta energy: -7.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -598.962195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.962195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.962195 (E_RNA) where: Base-Base interactions energy: -258.157 where: short stacking energy: -151.318 Base-Backbone interact. energy: 0.094 local terms energy: -340.899607 where: bonds (distance) C4'-P energy: -89.767 bonds (distance) P-C4' energy: -110.919 flat angles C4'-P-C4' energy: -114.789 flat angles P-C4'-P energy: -40.305 tors. eta vs tors. theta energy: 14.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2147.011571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.011571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.011571 (E_RNA) where: Base-Base interactions energy: -1490.601 where: short stacking energy: -627.616 Base-Backbone interact. energy: 0.224 local terms energy: -656.634591 where: bonds (distance) C4'-P energy: -117.565 bonds (distance) P-C4' energy: -125.369 flat angles C4'-P-C4' energy: -135.491 flat angles P-C4'-P energy: -87.851 tors. eta vs tors. theta energy: -190.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2084.928972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.928972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.928972 (E_RNA) where: Base-Base interactions energy: -1436.250 where: short stacking energy: -599.165 Base-Backbone interact. energy: -6.396 local terms energy: -642.282288 where: bonds (distance) C4'-P energy: -134.852 bonds (distance) P-C4' energy: -119.826 flat angles C4'-P-C4' energy: -128.473 flat angles P-C4'-P energy: -89.708 tors. eta vs tors. theta energy: -169.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1859.829786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.829786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.829786 (E_RNA) where: Base-Base interactions energy: -1279.807 where: short stacking energy: -495.379 Base-Backbone interact. energy: -0.592 local terms energy: -579.430882 where: bonds (distance) C4'-P energy: -114.390 bonds (distance) P-C4' energy: -106.610 flat angles C4'-P-C4' energy: -134.615 flat angles P-C4'-P energy: -73.366 tors. eta vs tors. theta energy: -150.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1875.205544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.205544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.205544 (E_RNA) where: Base-Base interactions energy: -1295.286 where: short stacking energy: -559.620 Base-Backbone interact. energy: -1.267 local terms energy: -578.652738 where: bonds (distance) C4'-P energy: -97.629 bonds (distance) P-C4' energy: -100.624 flat angles C4'-P-C4' energy: -137.166 flat angles P-C4'-P energy: -83.885 tors. eta vs tors. theta energy: -159.348 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: 4 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1676.045360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.045360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.045360 (E_RNA) where: Base-Base interactions energy: -1133.759 where: short stacking energy: -483.985 Base-Backbone interact. energy: -1.261 local terms energy: -541.025627 where: bonds (distance) C4'-P energy: -88.105 bonds (distance) P-C4' energy: -105.297 flat angles C4'-P-C4' energy: -118.139 flat angles P-C4'-P energy: -93.386 tors. eta vs tors. theta energy: -136.098 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: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1525.315469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.315469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.315469 (E_RNA) where: Base-Base interactions energy: -1008.125 where: short stacking energy: -457.749 Base-Backbone interact. energy: 0.837 local terms energy: -518.027423 where: bonds (distance) C4'-P energy: -99.540 bonds (distance) P-C4' energy: -101.507 flat angles C4'-P-C4' energy: -118.089 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: -123.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1182.921171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.921171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.921171 (E_RNA) where: Base-Base interactions energy: -747.928 where: short stacking energy: -315.754 Base-Backbone interact. energy: 0.127 local terms energy: -435.120298 where: bonds (distance) C4'-P energy: -106.454 bonds (distance) P-C4' energy: -109.250 flat angles C4'-P-C4' energy: -107.354 flat angles P-C4'-P energy: -67.746 tors. eta vs tors. theta energy: -44.316 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: 8, replica: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -939.969198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.969198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.969198 (E_RNA) where: Base-Base interactions energy: -531.171 where: short stacking energy: -271.832 Base-Backbone interact. energy: -1.602 local terms energy: -407.196111 where: bonds (distance) C4'-P energy: -101.974 bonds (distance) P-C4' energy: -111.100 flat angles C4'-P-C4' energy: -84.441 flat angles P-C4'-P energy: -59.611 tors. eta vs tors. theta energy: -50.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -635.585223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.585223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.585223 (E_RNA) where: Base-Base interactions energy: -275.986 where: short stacking energy: -184.739 Base-Backbone interact. energy: 2.585 local terms energy: -362.183594 where: bonds (distance) C4'-P energy: -106.910 bonds (distance) P-C4' energy: -107.969 flat angles C4'-P-C4' energy: -88.022 flat angles P-C4'-P energy: -58.470 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -581.837451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.837451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.837451 (E_RNA) where: Base-Base interactions energy: -251.679 where: short stacking energy: -162.615 Base-Backbone interact. energy: 1.922 local terms energy: -332.080441 where: bonds (distance) C4'-P energy: -103.167 bonds (distance) P-C4' energy: -113.448 flat angles C4'-P-C4' energy: -77.214 flat angles P-C4'-P energy: -39.491 tors. eta vs tors. theta energy: 1.239 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: 7 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2123.077393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.077393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.077393 (E_RNA) where: Base-Base interactions energy: -1462.915 where: short stacking energy: -604.321 Base-Backbone interact. energy: -2.438 local terms energy: -657.723886 where: bonds (distance) C4'-P energy: -108.237 bonds (distance) P-C4' energy: -134.313 flat angles C4'-P-C4' energy: -134.456 flat angles P-C4'-P energy: -101.230 tors. eta vs tors. theta energy: -179.488 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: 1 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2077.140009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.140009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.140009 (E_RNA) where: Base-Base interactions energy: -1428.034 where: short stacking energy: -593.070 Base-Backbone interact. energy: -1.210 local terms energy: -647.896429 where: bonds (distance) C4'-P energy: -114.400 bonds (distance) P-C4' energy: -124.463 flat angles C4'-P-C4' energy: -123.489 flat angles P-C4'-P energy: -106.128 tors. eta vs tors. theta energy: -179.416 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: 286 Temperature: 1.000000 Total energy: -1852.691762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.691762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.691762 (E_RNA) where: Base-Base interactions energy: -1257.083 where: short stacking energy: -526.173 Base-Backbone interact. energy: 3.056 local terms energy: -598.664259 where: bonds (distance) C4'-P energy: -112.547 bonds (distance) P-C4' energy: -129.132 flat angles C4'-P-C4' energy: -130.612 flat angles P-C4'-P energy: -80.835 tors. eta vs tors. theta energy: -145.538 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: 5 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1814.667236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.667236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.667236 (E_RNA) where: Base-Base interactions energy: -1200.754 where: short stacking energy: -536.151 Base-Backbone interact. energy: 2.440 local terms energy: -616.353096 where: bonds (distance) C4'-P energy: -121.519 bonds (distance) P-C4' energy: -122.282 flat angles C4'-P-C4' energy: -118.220 flat angles P-C4'-P energy: -88.588 tors. eta vs tors. theta energy: -165.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1760.695195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.695195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.695195 (E_RNA) where: Base-Base interactions energy: -1178.231 where: short stacking energy: -502.989 Base-Backbone interact. energy: -2.729 local terms energy: -579.734864 where: bonds (distance) C4'-P energy: -113.735 bonds (distance) P-C4' energy: -114.392 flat angles C4'-P-C4' energy: -130.535 flat angles P-C4'-P energy: -75.202 tors. eta vs tors. theta energy: -145.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1542.178568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.178568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.178568 (E_RNA) where: Base-Base interactions energy: -1040.487 where: short stacking energy: -440.731 Base-Backbone interact. energy: 2.348 local terms energy: -504.039183 where: bonds (distance) C4'-P energy: -92.470 bonds (distance) P-C4' energy: -98.605 flat angles C4'-P-C4' energy: -102.978 flat angles P-C4'-P energy: -75.009 tors. eta vs tors. theta energy: -134.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1271.267985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.267985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.267985 (E_RNA) where: Base-Base interactions energy: -839.533 where: short stacking energy: -346.340 Base-Backbone interact. energy: -2.260 local terms energy: -429.475649 where: bonds (distance) C4'-P energy: -87.376 bonds (distance) P-C4' energy: -115.156 flat angles C4'-P-C4' energy: -101.595 flat angles P-C4'-P energy: -49.690 tors. eta vs tors. theta energy: -75.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -924.129363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.129363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.129363 (E_RNA) where: Base-Base interactions energy: -533.710 where: short stacking energy: -266.720 Base-Backbone interact. energy: 0.353 local terms energy: -390.772368 where: bonds (distance) C4'-P energy: -106.551 bonds (distance) P-C4' energy: -94.869 flat angles C4'-P-C4' energy: -100.735 flat angles P-C4'-P energy: -57.335 tors. eta vs tors. theta energy: -31.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -649.614587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.614587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.614587 (E_RNA) where: Base-Base interactions energy: -341.300 where: short stacking energy: -175.162 Base-Backbone interact. energy: 4.333 local terms energy: -312.647636 where: bonds (distance) C4'-P energy: -99.616 bonds (distance) P-C4' energy: -98.359 flat angles C4'-P-C4' energy: -68.767 flat angles P-C4'-P energy: -62.127 tors. eta vs tors. theta energy: 16.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -594.271337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.271337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.271337 (E_RNA) where: Base-Base interactions energy: -231.837 where: short stacking energy: -139.089 Base-Backbone interact. energy: -0.226 local terms energy: -362.208821 where: bonds (distance) C4'-P energy: -112.549 bonds (distance) P-C4' energy: -105.541 flat angles C4'-P-C4' energy: -89.162 flat angles P-C4'-P energy: -59.277 tors. eta vs tors. theta energy: 4.321 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: 7 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2134.980965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.980965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.980965 (E_RNA) where: Base-Base interactions energy: -1476.703 where: short stacking energy: -597.259 Base-Backbone interact. energy: -3.014 local terms energy: -655.263899 where: bonds (distance) C4'-P energy: -114.462 bonds (distance) P-C4' energy: -123.542 flat angles C4'-P-C4' energy: -142.422 flat angles P-C4'-P energy: -86.293 tors. eta vs tors. theta energy: -188.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2078.969603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.969603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.969603 (E_RNA) where: Base-Base interactions energy: -1444.197 where: short stacking energy: -602.048 Base-Backbone interact. energy: -1.110 local terms energy: -633.662624 where: bonds (distance) C4'-P energy: -117.508 bonds (distance) P-C4' energy: -115.028 flat angles C4'-P-C4' energy: -127.362 flat angles P-C4'-P energy: -97.730 tors. eta vs tors. theta energy: -176.034 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: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1859.407981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.407981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.407981 (E_RNA) where: Base-Base interactions energy: -1278.095 where: short stacking energy: -516.295 Base-Backbone interact. energy: 3.233 local terms energy: -584.545598 where: bonds (distance) C4'-P energy: -109.658 bonds (distance) P-C4' energy: -117.884 flat angles C4'-P-C4' energy: -132.915 flat angles P-C4'-P energy: -77.767 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: 4, replica: 5 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1801.307924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.307924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.307924 (E_RNA) where: Base-Base interactions energy: -1205.608 where: short stacking energy: -520.684 Base-Backbone interact. energy: -3.857 local terms energy: -591.842954 where: bonds (distance) C4'-P energy: -87.815 bonds (distance) P-C4' energy: -121.925 flat angles C4'-P-C4' energy: -127.833 flat angles P-C4'-P energy: -91.063 tors. eta vs tors. theta energy: -163.207 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: 4 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1795.235900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.235900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.235900 (E_RNA) where: Base-Base interactions energy: -1226.396 where: short stacking energy: -519.197 Base-Backbone interact. energy: -1.301 local terms energy: -567.538882 where: bonds (distance) C4'-P energy: -112.395 bonds (distance) P-C4' energy: -103.937 flat angles C4'-P-C4' energy: -130.814 flat angles P-C4'-P energy: -69.751 tors. eta vs tors. theta energy: -150.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1527.357741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.357741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.357741 (E_RNA) where: Base-Base interactions energy: -1032.843 where: short stacking energy: -458.872 Base-Backbone interact. energy: 2.382 local terms energy: -496.896478 where: bonds (distance) C4'-P energy: -96.038 bonds (distance) P-C4' energy: -94.764 flat angles C4'-P-C4' energy: -128.287 flat angles P-C4'-P energy: -66.382 tors. eta vs tors. theta energy: -111.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1301.451709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.451709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.451709 (E_RNA) where: Base-Base interactions energy: -835.384 where: short stacking energy: -368.497 Base-Backbone interact. energy: 7.478 local terms energy: -473.546372 where: bonds (distance) C4'-P energy: -106.389 bonds (distance) P-C4' energy: -99.910 flat angles C4'-P-C4' energy: -113.136 flat angles P-C4'-P energy: -61.140 tors. eta vs tors. theta energy: -92.972 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: 8, replica: 6 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -929.895351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.895351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.895351 (E_RNA) where: Base-Base interactions energy: -504.072 where: short stacking energy: -254.888 Base-Backbone interact. energy: 1.582 local terms energy: -427.405482 where: bonds (distance) C4'-P energy: -100.766 bonds (distance) P-C4' energy: -106.777 flat angles C4'-P-C4' energy: -112.546 flat angles P-C4'-P energy: -74.443 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: 9, replica: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -661.947211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.947211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.947211 (E_RNA) where: Base-Base interactions energy: -290.906 where: short stacking energy: -172.017 Base-Backbone interact. energy: 5.650 local terms energy: -376.691104 where: bonds (distance) C4'-P energy: -89.509 bonds (distance) P-C4' energy: -101.594 flat angles C4'-P-C4' energy: -107.672 flat angles P-C4'-P energy: -59.425 tors. eta vs tors. theta energy: -18.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -581.977570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.977570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.977570 (E_RNA) where: Base-Base interactions energy: -274.522 where: short stacking energy: -169.448 Base-Backbone interact. energy: 1.885 local terms energy: -309.340951 where: bonds (distance) C4'-P energy: -94.184 bonds (distance) P-C4' energy: -82.391 flat angles C4'-P-C4' energy: -114.079 flat angles P-C4'-P energy: -33.333 tors. eta vs tors. theta energy: 14.645 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: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2122.506016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.506016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.506016 (E_RNA) where: Base-Base interactions energy: -1474.820 where: short stacking energy: -603.436 Base-Backbone interact. energy: -3.461 local terms energy: -644.224990 where: bonds (distance) C4'-P energy: -116.378 bonds (distance) P-C4' energy: -129.084 flat angles C4'-P-C4' energy: -135.071 flat angles P-C4'-P energy: -89.142 tors. eta vs tors. theta energy: -174.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2098.828876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.828876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.828876 (E_RNA) where: Base-Base interactions energy: -1436.703 where: short stacking energy: -601.105 Base-Backbone interact. energy: 1.284 local terms energy: -663.409614 where: bonds (distance) C4'-P energy: -122.471 bonds (distance) P-C4' energy: -134.768 flat angles C4'-P-C4' energy: -130.321 flat angles P-C4'-P energy: -94.215 tors. eta vs tors. theta energy: -181.635 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: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1935.553593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.553593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.553593 (E_RNA) where: Base-Base interactions energy: -1284.478 where: short stacking energy: -546.539 Base-Backbone interact. energy: -1.384 local terms energy: -649.691862 where: bonds (distance) C4'-P energy: -124.531 bonds (distance) P-C4' energy: -124.640 flat angles C4'-P-C4' energy: -135.064 flat angles P-C4'-P energy: -93.581 tors. eta vs tors. theta energy: -171.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1789.104860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.104860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.104860 (E_RNA) where: Base-Base interactions energy: -1234.410 where: short stacking energy: -507.196 Base-Backbone interact. energy: -3.480 local terms energy: -551.214571 where: bonds (distance) C4'-P energy: -107.372 bonds (distance) P-C4' energy: -110.090 flat angles C4'-P-C4' energy: -115.945 flat angles P-C4'-P energy: -91.506 tors. eta vs tors. theta energy: -126.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1762.904300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.904300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.904300 (E_RNA) where: Base-Base interactions energy: -1189.484 where: short stacking energy: -509.383 Base-Backbone interact. energy: -2.280 local terms energy: -571.139996 where: bonds (distance) C4'-P energy: -116.942 bonds (distance) P-C4' energy: -106.452 flat angles C4'-P-C4' energy: -112.696 flat angles P-C4'-P energy: -83.407 tors. eta vs tors. theta energy: -151.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1608.032788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.032788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.032788 (E_RNA) where: Base-Base interactions energy: -1058.122 where: short stacking energy: -456.379 Base-Backbone interact. energy: 0.872 local terms energy: -550.782271 where: bonds (distance) C4'-P energy: -110.039 bonds (distance) P-C4' energy: -100.660 flat angles C4'-P-C4' energy: -131.167 flat angles P-C4'-P energy: -82.558 tors. eta vs tors. theta energy: -126.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1359.636757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.636757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.636757 (E_RNA) where: Base-Base interactions energy: -895.425 where: short stacking energy: -366.092 Base-Backbone interact. energy: -2.544 local terms energy: -461.668512 where: bonds (distance) C4'-P energy: -96.757 bonds (distance) P-C4' energy: -106.555 flat angles C4'-P-C4' energy: -98.903 flat angles P-C4'-P energy: -75.836 tors. eta vs tors. theta energy: -83.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -970.338092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.338092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.338092 (E_RNA) where: Base-Base interactions energy: -585.042 where: short stacking energy: -277.769 Base-Backbone interact. energy: -3.522 local terms energy: -381.774351 where: bonds (distance) C4'-P energy: -85.020 bonds (distance) P-C4' energy: -92.809 flat angles C4'-P-C4' energy: -91.533 flat angles P-C4'-P energy: -74.517 tors. eta vs tors. theta energy: -37.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -697.818779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.818779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.818779 (E_RNA) where: Base-Base interactions energy: -327.992 where: short stacking energy: -177.471 Base-Backbone interact. energy: -1.380 local terms energy: -368.446748 where: bonds (distance) C4'-P energy: -105.637 bonds (distance) P-C4' energy: -104.630 flat angles C4'-P-C4' energy: -106.556 flat angles P-C4'-P energy: -59.371 tors. eta vs tors. theta energy: 7.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -571.381191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.381191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.381191 (E_RNA) where: Base-Base interactions energy: -261.051 where: short stacking energy: -180.126 Base-Backbone interact. energy: 0.901 local terms energy: -311.231144 where: bonds (distance) C4'-P energy: -94.441 bonds (distance) P-C4' energy: -88.654 flat angles C4'-P-C4' energy: -77.714 flat angles P-C4'-P energy: -49.079 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2154.036041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.036041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.036041 (E_RNA) where: Base-Base interactions energy: -1486.431 where: short stacking energy: -617.311 Base-Backbone interact. energy: -3.972 local terms energy: -663.633291 where: bonds (distance) C4'-P energy: -123.238 bonds (distance) P-C4' energy: -123.371 flat angles C4'-P-C4' energy: -144.523 flat angles P-C4'-P energy: -88.191 tors. eta vs tors. theta energy: -184.310 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: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2074.003200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.003200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.003200 (E_RNA) where: Base-Base interactions energy: -1418.264 where: short stacking energy: -577.921 Base-Backbone interact. energy: -2.741 local terms energy: -652.997986 where: bonds (distance) C4'-P energy: -120.825 bonds (distance) P-C4' energy: -123.563 flat angles C4'-P-C4' energy: -138.552 flat angles P-C4'-P energy: -88.782 tors. eta vs tors. theta energy: -181.276 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: 3, replica: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1916.311317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.311317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.311317 (E_RNA) where: Base-Base interactions energy: -1303.440 where: short stacking energy: -546.188 Base-Backbone interact. energy: -3.240 local terms energy: -609.631189 where: bonds (distance) C4'-P energy: -121.013 bonds (distance) P-C4' energy: -118.062 flat angles C4'-P-C4' energy: -122.428 flat angles P-C4'-P energy: -79.570 tors. eta vs tors. theta energy: -168.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1771.383893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.383893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.383893 (E_RNA) where: Base-Base interactions energy: -1217.368 where: short stacking energy: -498.203 Base-Backbone interact. energy: -2.581 local terms energy: -551.435215 where: bonds (distance) C4'-P energy: -101.554 bonds (distance) P-C4' energy: -103.952 flat angles C4'-P-C4' energy: -124.302 flat angles P-C4'-P energy: -85.291 tors. eta vs tors. theta energy: -136.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1778.994801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.994801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.994801 (E_RNA) where: Base-Base interactions energy: -1217.591 where: short stacking energy: -506.164 Base-Backbone interact. energy: 0.101 local terms energy: -561.505285 where: bonds (distance) C4'-P energy: -109.407 bonds (distance) P-C4' energy: -96.388 flat angles C4'-P-C4' energy: -122.221 flat angles P-C4'-P energy: -73.936 tors. eta vs tors. theta energy: -159.553 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: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1507.083211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.083211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.083211 (E_RNA) where: Base-Base interactions energy: -1005.139 where: short stacking energy: -432.575 Base-Backbone interact. energy: -2.558 local terms energy: -499.386550 where: bonds (distance) C4'-P energy: -109.214 bonds (distance) P-C4' energy: -98.012 flat angles C4'-P-C4' energy: -107.633 flat angles P-C4'-P energy: -65.371 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: 7, replica: 10 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1298.856495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.856495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.856495 (E_RNA) where: Base-Base interactions energy: -806.844 where: short stacking energy: -357.219 Base-Backbone interact. energy: -0.765 local terms energy: -491.247968 where: bonds (distance) C4'-P energy: -109.673 bonds (distance) P-C4' energy: -99.466 flat angles C4'-P-C4' energy: -114.415 flat angles P-C4'-P energy: -76.659 tors. eta vs tors. theta energy: -91.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -896.201243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.201243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.201243 (E_RNA) where: Base-Base interactions energy: -499.893 where: short stacking energy: -253.232 Base-Backbone interact. energy: -0.846 local terms energy: -395.462516 where: bonds (distance) C4'-P energy: -98.107 bonds (distance) P-C4' energy: -103.266 flat angles C4'-P-C4' energy: -94.743 flat angles P-C4'-P energy: -63.213 tors. eta vs tors. theta energy: -36.133 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: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -651.484825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.484825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.484825 (E_RNA) where: Base-Base interactions energy: -313.481 where: short stacking energy: -188.781 Base-Backbone interact. energy: 1.140 local terms energy: -339.143570 where: bonds (distance) C4'-P energy: -110.682 bonds (distance) P-C4' energy: -109.038 flat angles C4'-P-C4' energy: -76.269 flat angles P-C4'-P energy: -43.307 tors. eta vs tors. theta energy: 0.153 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: 9 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -564.208817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.208817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.208817 (E_RNA) where: Base-Base interactions energy: -242.407 where: short stacking energy: -157.212 Base-Backbone interact. energy: -2.037 local terms energy: -319.765589 where: bonds (distance) C4'-P energy: -92.164 bonds (distance) P-C4' energy: -104.473 flat angles C4'-P-C4' energy: -79.273 flat angles P-C4'-P energy: -45.584 tors. eta vs tors. theta energy: 1.728 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: 1, replica: 7 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2126.822069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.822069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.822069 (E_RNA) where: Base-Base interactions energy: -1467.728 where: short stacking energy: -608.816 Base-Backbone interact. energy: -2.977 local terms energy: -656.117981 where: bonds (distance) C4'-P energy: -122.327 bonds (distance) P-C4' energy: -116.580 flat angles C4'-P-C4' energy: -139.183 flat angles P-C4'-P energy: -84.428 tors. eta vs tors. theta energy: -193.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2072.125691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.125691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.125691 (E_RNA) where: Base-Base interactions energy: -1439.878 where: short stacking energy: -575.624 Base-Backbone interact. energy: -0.112 local terms energy: -632.135685 where: bonds (distance) C4'-P energy: -120.526 bonds (distance) P-C4' energy: -116.981 flat angles C4'-P-C4' energy: -126.516 flat angles P-C4'-P energy: -91.072 tors. eta vs tors. theta energy: -177.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1905.946953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.946953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.946953 (E_RNA) where: Base-Base interactions energy: -1271.861 where: short stacking energy: -546.342 Base-Backbone interact. energy: 2.096 local terms energy: -636.181798 where: bonds (distance) C4'-P energy: -97.817 bonds (distance) P-C4' energy: -128.937 flat angles C4'-P-C4' energy: -139.597 flat angles P-C4'-P energy: -97.081 tors. eta vs tors. theta energy: -172.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1762.040398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.040398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.040398 (E_RNA) where: Base-Base interactions energy: -1192.659 where: short stacking energy: -506.098 Base-Backbone interact. energy: -2.645 local terms energy: -566.735761 where: bonds (distance) C4'-P energy: -107.948 bonds (distance) P-C4' energy: -121.379 flat angles C4'-P-C4' energy: -115.555 flat angles P-C4'-P energy: -74.446 tors. eta vs tors. theta energy: -147.408 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: 4 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1765.034829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.034829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.034829 (E_RNA) where: Base-Base interactions energy: -1180.554 where: short stacking energy: -472.240 Base-Backbone interact. energy: -3.265 local terms energy: -581.215698 where: bonds (distance) C4'-P energy: -112.203 bonds (distance) P-C4' energy: -111.816 flat angles C4'-P-C4' energy: -118.905 flat angles P-C4'-P energy: -84.916 tors. eta vs tors. theta energy: -153.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1519.851664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.851664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.851664 (E_RNA) where: Base-Base interactions energy: -991.256 where: short stacking energy: -424.346 Base-Backbone interact. energy: 3.155 local terms energy: -531.750643 where: bonds (distance) C4'-P energy: -113.557 bonds (distance) P-C4' energy: -114.236 flat angles C4'-P-C4' energy: -123.493 flat angles P-C4'-P energy: -68.688 tors. eta vs tors. theta energy: -111.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1317.350421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.350421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.350421 (E_RNA) where: Base-Base interactions energy: -838.143 where: short stacking energy: -352.327 Base-Backbone interact. energy: -1.987 local terms energy: -477.220579 where: bonds (distance) C4'-P energy: -112.962 bonds (distance) P-C4' energy: -112.642 flat angles C4'-P-C4' energy: -101.281 flat angles P-C4'-P energy: -70.988 tors. eta vs tors. theta energy: -79.348 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: 6 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -892.703858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.703858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.703858 (E_RNA) where: Base-Base interactions energy: -462.489 where: short stacking energy: -253.468 Base-Backbone interact. energy: -1.615 local terms energy: -428.599667 where: bonds (distance) C4'-P energy: -95.066 bonds (distance) P-C4' energy: -119.180 flat angles C4'-P-C4' energy: -102.012 flat angles P-C4'-P energy: -58.406 tors. eta vs tors. theta energy: -53.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -639.742066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.742066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.742066 (E_RNA) where: Base-Base interactions energy: -287.256 where: short stacking energy: -197.854 Base-Backbone interact. energy: -0.911 local terms energy: -351.574953 where: bonds (distance) C4'-P energy: -91.852 bonds (distance) P-C4' energy: -109.678 flat angles C4'-P-C4' energy: -96.702 flat angles P-C4'-P energy: -49.889 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -577.111050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.111050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.111050 (E_RNA) where: Base-Base interactions energy: -250.708 where: short stacking energy: -163.223 Base-Backbone interact. energy: 0.199 local terms energy: -326.601673 where: bonds (distance) C4'-P energy: -85.058 bonds (distance) P-C4' energy: -100.763 flat angles C4'-P-C4' energy: -93.527 flat angles P-C4'-P energy: -49.125 tors. eta vs tors. theta energy: 1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2151.561452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.561452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.561452 (E_RNA) where: Base-Base interactions energy: -1511.638 where: short stacking energy: -633.824 Base-Backbone interact. energy: -3.242 local terms energy: -636.681845 where: bonds (distance) C4'-P energy: -101.558 bonds (distance) P-C4' energy: -115.341 flat angles C4'-P-C4' energy: -135.118 flat angles P-C4'-P energy: -94.765 tors. eta vs tors. theta energy: -189.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2096.308090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.308090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.308090 (E_RNA) where: Base-Base interactions energy: -1447.743 where: short stacking energy: -594.625 Base-Backbone interact. energy: -0.499 local terms energy: -648.066392 where: bonds (distance) C4'-P energy: -132.216 bonds (distance) P-C4' energy: -110.526 flat angles C4'-P-C4' energy: -129.368 flat angles P-C4'-P energy: -90.199 tors. eta vs tors. theta energy: -185.758 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: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1925.611631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.611631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.611631 (E_RNA) where: Base-Base interactions energy: -1279.346 where: short stacking energy: -553.001 Base-Backbone interact. energy: -3.521 local terms energy: -642.744309 where: bonds (distance) C4'-P energy: -115.695 bonds (distance) P-C4' energy: -119.853 flat angles C4'-P-C4' energy: -144.331 flat angles P-C4'-P energy: -91.419 tors. eta vs tors. theta energy: -171.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1883.646986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.646986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.646986 (E_RNA) where: Base-Base interactions energy: -1285.082 where: short stacking energy: -521.317 Base-Backbone interact. energy: -1.698 local terms energy: -596.866342 where: bonds (distance) C4'-P energy: -109.680 bonds (distance) P-C4' energy: -117.324 flat angles C4'-P-C4' energy: -132.638 flat angles P-C4'-P energy: -65.983 tors. eta vs tors. theta energy: -171.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1719.140531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.140531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.140531 (E_RNA) where: Base-Base interactions energy: -1169.754 where: short stacking energy: -488.343 Base-Backbone interact. energy: -1.666 local terms energy: -547.721280 where: bonds (distance) C4'-P energy: -107.393 bonds (distance) P-C4' energy: -104.347 flat angles C4'-P-C4' energy: -109.094 flat angles P-C4'-P energy: -91.328 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: 6, replica: 2 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1484.468836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.468836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.468836 (E_RNA) where: Base-Base interactions energy: -983.081 where: short stacking energy: -407.976 Base-Backbone interact. energy: -3.403 local terms energy: -497.985653 where: bonds (distance) C4'-P energy: -96.806 bonds (distance) P-C4' energy: -119.113 flat angles C4'-P-C4' energy: -100.503 flat angles P-C4'-P energy: -75.951 tors. eta vs tors. theta energy: -105.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1244.386511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.386511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.386511 (E_RNA) where: Base-Base interactions energy: -832.769 where: short stacking energy: -367.342 Base-Backbone interact. energy: 5.094 local terms energy: -416.711192 where: bonds (distance) C4'-P energy: -79.175 bonds (distance) P-C4' energy: -81.384 flat angles C4'-P-C4' energy: -107.411 flat angles P-C4'-P energy: -64.584 tors. eta vs tors. theta energy: -84.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -870.355358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.355358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.355358 (E_RNA) where: Base-Base interactions energy: -486.223 where: short stacking energy: -243.464 Base-Backbone interact. energy: -1.942 local terms energy: -382.190102 where: bonds (distance) C4'-P energy: -93.040 bonds (distance) P-C4' energy: -98.414 flat angles C4'-P-C4' energy: -96.164 flat angles P-C4'-P energy: -56.753 tors. eta vs tors. theta energy: -37.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -620.525781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.525781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.525781 (E_RNA) where: Base-Base interactions energy: -282.758 where: short stacking energy: -187.387 Base-Backbone interact. energy: 1.565 local terms energy: -339.332459 where: bonds (distance) C4'-P energy: -92.992 bonds (distance) P-C4' energy: -88.572 flat angles C4'-P-C4' energy: -97.995 flat angles P-C4'-P energy: -53.295 tors. eta vs tors. theta energy: -6.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -562.141369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.141369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.141369 (E_RNA) where: Base-Base interactions energy: -244.861 where: short stacking energy: -167.506 Base-Backbone interact. energy: 0.624 local terms energy: -317.904879 where: bonds (distance) C4'-P energy: -95.281 bonds (distance) P-C4' energy: -110.742 flat angles C4'-P-C4' energy: -84.650 flat angles P-C4'-P energy: -34.722 tors. eta vs tors. theta energy: 7.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2164.065583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.065583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.065583 (E_RNA) where: Base-Base interactions energy: -1516.738 where: short stacking energy: -611.816 Base-Backbone interact. energy: -3.287 local terms energy: -644.040502 where: bonds (distance) C4'-P energy: -114.808 bonds (distance) P-C4' energy: -111.825 flat angles C4'-P-C4' energy: -142.508 flat angles P-C4'-P energy: -95.485 tors. eta vs tors. theta energy: -179.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2102.310397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.310397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.310397 (E_RNA) where: Base-Base interactions energy: -1441.713 where: short stacking energy: -608.591 Base-Backbone interact. energy: -2.143 local terms energy: -658.453462 where: bonds (distance) C4'-P energy: -120.984 bonds (distance) P-C4' energy: -116.398 flat angles C4'-P-C4' energy: -138.235 flat angles P-C4'-P energy: -99.850 tors. eta vs tors. theta energy: -182.986 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: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1929.358641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.358641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.358641 (E_RNA) where: Base-Base interactions energy: -1321.952 where: short stacking energy: -532.931 Base-Backbone interact. energy: -1.610 local terms energy: -605.796543 where: bonds (distance) C4'-P energy: -117.991 bonds (distance) P-C4' energy: -118.529 flat angles C4'-P-C4' energy: -123.902 flat angles P-C4'-P energy: -94.282 tors. eta vs tors. theta energy: -151.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1869.733738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.733738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.733738 (E_RNA) where: Base-Base interactions energy: -1279.988 where: short stacking energy: -528.044 Base-Backbone interact. energy: 0.147 local terms energy: -589.892356 where: bonds (distance) C4'-P energy: -106.294 bonds (distance) P-C4' energy: -121.888 flat angles C4'-P-C4' energy: -128.083 flat angles P-C4'-P energy: -77.446 tors. eta vs tors. theta energy: -156.181 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: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1742.511329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.511329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.511329 (E_RNA) where: Base-Base interactions energy: -1206.051 where: short stacking energy: -517.456 Base-Backbone interact. energy: 0.428 local terms energy: -536.888734 where: bonds (distance) C4'-P energy: -94.966 bonds (distance) P-C4' energy: -105.306 flat angles C4'-P-C4' energy: -122.736 flat angles P-C4'-P energy: -73.902 tors. eta vs tors. theta energy: -139.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1404.513280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.513280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.513280 (E_RNA) where: Base-Base interactions energy: -899.627 where: short stacking energy: -401.076 Base-Backbone interact. energy: 4.626 local terms energy: -509.512474 where: bonds (distance) C4'-P energy: -114.659 bonds (distance) P-C4' energy: -103.655 flat angles C4'-P-C4' energy: -106.390 flat angles P-C4'-P energy: -93.017 tors. eta vs tors. theta energy: -91.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1263.184804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.184804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.184804 (E_RNA) where: Base-Base interactions energy: -807.150 where: short stacking energy: -355.118 Base-Backbone interact. energy: -2.727 local terms energy: -453.307859 where: bonds (distance) C4'-P energy: -102.887 bonds (distance) P-C4' energy: -99.064 flat angles C4'-P-C4' energy: -113.571 flat angles P-C4'-P energy: -67.191 tors. eta vs tors. theta energy: -70.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -899.289539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.289539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.289539 (E_RNA) where: Base-Base interactions energy: -490.258 where: short stacking energy: -246.344 Base-Backbone interact. energy: -3.269 local terms energy: -405.763027 where: bonds (distance) C4'-P energy: -93.127 bonds (distance) P-C4' energy: -120.396 flat angles C4'-P-C4' energy: -101.040 flat angles P-C4'-P energy: -58.983 tors. eta vs tors. theta energy: -32.217 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: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -626.463536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.463536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.463536 (E_RNA) where: Base-Base interactions energy: -272.277 where: short stacking energy: -178.950 Base-Backbone interact. energy: -2.188 local terms energy: -351.998809 where: bonds (distance) C4'-P energy: -92.738 bonds (distance) P-C4' energy: -92.963 flat angles C4'-P-C4' energy: -108.576 flat angles P-C4'-P energy: -58.598 tors. eta vs tors. theta energy: 0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -564.833811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.833811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.833811 (E_RNA) where: Base-Base interactions energy: -258.387 where: short stacking energy: -170.752 Base-Backbone interact. energy: 0.593 local terms energy: -307.039165 where: bonds (distance) C4'-P energy: -96.583 bonds (distance) P-C4' energy: -105.523 flat angles C4'-P-C4' energy: -77.187 flat angles P-C4'-P energy: -40.871 tors. eta vs tors. theta energy: 13.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2123.177480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.177480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.177480 (E_RNA) where: Base-Base interactions energy: -1453.856 where: short stacking energy: -609.838 Base-Backbone interact. energy: -1.374 local terms energy: -667.947245 where: bonds (distance) C4'-P energy: -112.058 bonds (distance) P-C4' energy: -127.442 flat angles C4'-P-C4' energy: -143.077 flat angles P-C4'-P energy: -100.281 tors. eta vs tors. theta energy: -185.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2087.328974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.328974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.328974 (E_RNA) where: Base-Base interactions energy: -1444.399 where: short stacking energy: -611.934 Base-Backbone interact. energy: 1.197 local terms energy: -644.126470 where: bonds (distance) C4'-P energy: -125.387 bonds (distance) P-C4' energy: -113.537 flat angles C4'-P-C4' energy: -130.884 flat angles P-C4'-P energy: -90.322 tors. eta vs tors. theta energy: -183.995 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: 4 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1949.317861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.317861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.317861 (E_RNA) where: Base-Base interactions energy: -1347.196 where: short stacking energy: -552.991 Base-Backbone interact. energy: 4.913 local terms energy: -607.034559 where: bonds (distance) C4'-P energy: -114.591 bonds (distance) P-C4' energy: -119.540 flat angles C4'-P-C4' energy: -127.875 flat angles P-C4'-P energy: -83.989 tors. eta vs tors. theta energy: -161.040 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: 5 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1891.121085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.121085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.121085 (E_RNA) where: Base-Base interactions energy: -1254.292 where: short stacking energy: -537.137 Base-Backbone interact. energy: 5.216 local terms energy: -642.045337 where: bonds (distance) C4'-P energy: -108.870 bonds (distance) P-C4' energy: -130.548 flat angles C4'-P-C4' energy: -135.349 flat angles P-C4'-P energy: -90.366 tors. eta vs tors. theta energy: -176.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1718.174998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.174998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.174998 (E_RNA) where: Base-Base interactions energy: -1163.946 where: short stacking energy: -486.866 Base-Backbone interact. energy: -3.828 local terms energy: -550.400967 where: bonds (distance) C4'-P energy: -105.482 bonds (distance) P-C4' energy: -111.381 flat angles C4'-P-C4' energy: -117.305 flat angles P-C4'-P energy: -72.590 tors. eta vs tors. theta energy: -143.642 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: 2 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1459.037297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.037297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.037297 (E_RNA) where: Base-Base interactions energy: -965.285 where: short stacking energy: -416.691 Base-Backbone interact. energy: 1.348 local terms energy: -495.100186 where: bonds (distance) C4'-P energy: -90.103 bonds (distance) P-C4' energy: -99.208 flat angles C4'-P-C4' energy: -115.077 flat angles P-C4'-P energy: -78.012 tors. eta vs tors. theta energy: -112.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1241.430447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.430447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.430447 (E_RNA) where: Base-Base interactions energy: -803.554 where: short stacking energy: -370.858 Base-Backbone interact. energy: -1.428 local terms energy: -436.449018 where: bonds (distance) C4'-P energy: -102.306 bonds (distance) P-C4' energy: -100.904 flat angles C4'-P-C4' energy: -92.601 flat angles P-C4'-P energy: -58.514 tors. eta vs tors. theta energy: -82.124 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: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -894.475249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.475249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.475249 (E_RNA) where: Base-Base interactions energy: -510.992 where: short stacking energy: -253.108 Base-Backbone interact. energy: -0.752 local terms energy: -382.730642 where: bonds (distance) C4'-P energy: -112.945 bonds (distance) P-C4' energy: -88.630 flat angles C4'-P-C4' energy: -93.961 flat angles P-C4'-P energy: -64.789 tors. eta vs tors. theta energy: -22.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -658.574946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.574946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.574946 (E_RNA) where: Base-Base interactions energy: -308.541 where: short stacking energy: -177.957 Base-Backbone interact. energy: -5.488 local terms energy: -344.546293 where: bonds (distance) C4'-P energy: -96.493 bonds (distance) P-C4' energy: -91.798 flat angles C4'-P-C4' energy: -87.723 flat angles P-C4'-P energy: -60.071 tors. eta vs tors. theta energy: -8.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -541.752510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.752510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.752510 (E_RNA) where: Base-Base interactions energy: -263.535 where: short stacking energy: -128.489 Base-Backbone interact. energy: 2.845 local terms energy: -281.062570 where: bonds (distance) C4'-P energy: -87.396 bonds (distance) P-C4' energy: -99.211 flat angles C4'-P-C4' energy: -76.114 flat angles P-C4'-P energy: -43.134 tors. eta vs tors. theta energy: 24.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2131.488214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.488214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.488214 (E_RNA) where: Base-Base interactions energy: -1485.745 where: short stacking energy: -598.831 Base-Backbone interact. energy: -1.672 local terms energy: -644.071796 where: bonds (distance) C4'-P energy: -121.641 bonds (distance) P-C4' energy: -128.217 flat angles C4'-P-C4' energy: -143.196 flat angles P-C4'-P energy: -78.694 tors. eta vs tors. theta energy: -172.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2078.699069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.699069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.699069 (E_RNA) where: Base-Base interactions energy: -1443.695 where: short stacking energy: -598.693 Base-Backbone interact. energy: -2.689 local terms energy: -632.315391 where: bonds (distance) C4'-P energy: -115.107 bonds (distance) P-C4' energy: -110.979 flat angles C4'-P-C4' energy: -136.702 flat angles P-C4'-P energy: -87.948 tors. eta vs tors. theta energy: -181.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1902.695058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.695058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.695058 (E_RNA) where: Base-Base interactions energy: -1314.698 where: short stacking energy: -513.792 Base-Backbone interact. energy: 0.125 local terms energy: -588.122527 where: bonds (distance) C4'-P energy: -111.357 bonds (distance) P-C4' energy: -120.529 flat angles C4'-P-C4' energy: -125.841 flat angles P-C4'-P energy: -82.490 tors. eta vs tors. theta energy: -147.905 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: 5 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1857.991482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.991482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.991482 (E_RNA) where: Base-Base interactions energy: -1242.443 where: short stacking energy: -531.835 Base-Backbone interact. energy: -0.943 local terms energy: -614.605448 where: bonds (distance) C4'-P energy: -117.139 bonds (distance) P-C4' energy: -119.783 flat angles C4'-P-C4' energy: -131.312 flat angles P-C4'-P energy: -78.934 tors. eta vs tors. theta energy: -167.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1779.665248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.665248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.665248 (E_RNA) where: Base-Base interactions energy: -1227.570 where: short stacking energy: -504.306 Base-Backbone interact. energy: -3.428 local terms energy: -548.667402 where: bonds (distance) C4'-P energy: -107.486 bonds (distance) P-C4' energy: -119.993 flat angles C4'-P-C4' energy: -106.998 flat angles P-C4'-P energy: -63.798 tors. eta vs tors. theta energy: -150.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1452.807357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.807357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.807357 (E_RNA) where: Base-Base interactions energy: -933.799 where: short stacking energy: -393.208 Base-Backbone interact. energy: -5.049 local terms energy: -513.959016 where: bonds (distance) C4'-P energy: -106.097 bonds (distance) P-C4' energy: -97.187 flat angles C4'-P-C4' energy: -114.142 flat angles P-C4'-P energy: -85.176 tors. eta vs tors. theta energy: -111.358 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: 7, replica: 10 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1194.513093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.513093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.513093 (E_RNA) where: Base-Base interactions energy: -741.807 where: short stacking energy: -310.031 Base-Backbone interact. energy: -1.883 local terms energy: -450.822854 where: bonds (distance) C4'-P energy: -114.953 bonds (distance) P-C4' energy: -106.398 flat angles C4'-P-C4' energy: -102.091 flat angles P-C4'-P energy: -70.527 tors. eta vs tors. theta energy: -56.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -904.342944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.342944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.342944 (E_RNA) where: Base-Base interactions energy: -523.385 where: short stacking energy: -232.447 Base-Backbone interact. energy: 0.283 local terms energy: -381.241742 where: bonds (distance) C4'-P energy: -87.318 bonds (distance) P-C4' energy: -100.233 flat angles C4'-P-C4' energy: -110.592 flat angles P-C4'-P energy: -68.735 tors. eta vs tors. theta energy: -14.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -683.945057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.945057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.945057 (E_RNA) where: Base-Base interactions energy: -334.134 where: short stacking energy: -189.808 Base-Backbone interact. energy: -0.802 local terms energy: -349.009576 where: bonds (distance) C4'-P energy: -97.237 bonds (distance) P-C4' energy: -112.364 flat angles C4'-P-C4' energy: -87.899 flat angles P-C4'-P energy: -51.702 tors. eta vs tors. theta energy: 0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -526.843153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.843153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.843153 (E_RNA) where: Base-Base interactions energy: -190.780 where: short stacking energy: -135.157 Base-Backbone interact. energy: -4.663 local terms energy: -331.400293 where: bonds (distance) C4'-P energy: -100.889 bonds (distance) P-C4' energy: -88.716 flat angles C4'-P-C4' energy: -85.128 flat angles P-C4'-P energy: -70.892 tors. eta vs tors. theta energy: 14.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2152.584467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.584467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.584467 (E_RNA) where: Base-Base interactions energy: -1478.378 where: short stacking energy: -596.516 Base-Backbone interact. energy: -4.339 local terms energy: -669.868182 where: bonds (distance) C4'-P energy: -122.650 bonds (distance) P-C4' energy: -123.102 flat angles C4'-P-C4' energy: -135.762 flat angles P-C4'-P energy: -97.747 tors. eta vs tors. theta energy: -190.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2063.809599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.809599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.809599 (E_RNA) where: Base-Base interactions energy: -1410.575 where: short stacking energy: -591.531 Base-Backbone interact. energy: -2.646 local terms energy: -650.588017 where: bonds (distance) C4'-P energy: -120.032 bonds (distance) P-C4' energy: -122.664 flat angles C4'-P-C4' energy: -143.993 flat angles P-C4'-P energy: -85.039 tors. eta vs tors. theta energy: -178.859 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: 4 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1932.386458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.386458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.386458 (E_RNA) where: Base-Base interactions energy: -1306.767 where: short stacking energy: -561.697 Base-Backbone interact. energy: -4.991 local terms energy: -620.629277 where: bonds (distance) C4'-P energy: -110.332 bonds (distance) P-C4' energy: -120.906 flat angles C4'-P-C4' energy: -130.174 flat angles P-C4'-P energy: -79.413 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: 5 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1829.183953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.183953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.183953 (E_RNA) where: Base-Base interactions energy: -1219.539 where: short stacking energy: -524.412 Base-Backbone interact. energy: -1.126 local terms energy: -608.519231 where: bonds (distance) C4'-P energy: -108.145 bonds (distance) P-C4' energy: -132.306 flat angles C4'-P-C4' energy: -130.082 flat angles P-C4'-P energy: -70.618 tors. eta vs tors. theta energy: -167.368 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: 3 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1753.715221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.715221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.715221 (E_RNA) where: Base-Base interactions energy: -1182.276 where: short stacking energy: -476.763 Base-Backbone interact. energy: -2.827 local terms energy: -568.611662 where: bonds (distance) C4'-P energy: -116.800 bonds (distance) P-C4' energy: -118.909 flat angles C4'-P-C4' energy: -119.059 flat angles P-C4'-P energy: -82.314 tors. eta vs tors. theta energy: -131.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1532.277376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.277376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.277376 (E_RNA) where: Base-Base interactions energy: -977.384 where: short stacking energy: -459.539 Base-Backbone interact. energy: -1.699 local terms energy: -553.194357 where: bonds (distance) C4'-P energy: -120.531 bonds (distance) P-C4' energy: -104.891 flat angles C4'-P-C4' energy: -140.490 flat angles P-C4'-P energy: -66.878 tors. eta vs tors. theta energy: -120.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1140.063021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.063021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.063021 (E_RNA) where: Base-Base interactions energy: -723.298 where: short stacking energy: -295.316 Base-Backbone interact. energy: -0.605 local terms energy: -416.160530 where: bonds (distance) C4'-P energy: -94.595 bonds (distance) P-C4' energy: -102.313 flat angles C4'-P-C4' energy: -117.965 flat angles P-C4'-P energy: -63.216 tors. eta vs tors. theta energy: -38.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -860.233192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.233192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.233192 (E_RNA) where: Base-Base interactions energy: -473.784 where: short stacking energy: -217.155 Base-Backbone interact. energy: -4.009 local terms energy: -382.440153 where: bonds (distance) C4'-P energy: -106.312 bonds (distance) P-C4' energy: -100.976 flat angles C4'-P-C4' energy: -94.746 flat angles P-C4'-P energy: -53.136 tors. eta vs tors. theta energy: -27.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -627.341635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.341635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.341635 (E_RNA) where: Base-Base interactions energy: -285.719 where: short stacking energy: -187.855 Base-Backbone interact. energy: -1.789 local terms energy: -339.833819 where: bonds (distance) C4'-P energy: -99.981 bonds (distance) P-C4' energy: -98.514 flat angles C4'-P-C4' energy: -96.040 flat angles P-C4'-P energy: -45.528 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: 10, replica: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -500.193605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.193605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.193605 (E_RNA) where: Base-Base interactions energy: -203.208 where: short stacking energy: -135.064 Base-Backbone interact. energy: -3.088 local terms energy: -293.897477 where: bonds (distance) C4'-P energy: -101.566 bonds (distance) P-C4' energy: -112.677 flat angles C4'-P-C4' energy: -78.416 flat angles P-C4'-P energy: -35.000 tors. eta vs tors. theta energy: 33.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2146.783756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.783756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.783756 (E_RNA) where: Base-Base interactions energy: -1482.366 where: short stacking energy: -618.455 Base-Backbone interact. energy: -1.794 local terms energy: -662.623823 where: bonds (distance) C4'-P energy: -114.035 bonds (distance) P-C4' energy: -127.421 flat angles C4'-P-C4' energy: -141.884 flat angles P-C4'-P energy: -93.169 tors. eta vs tors. theta energy: -186.115 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: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2057.747034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.747034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.747034 (E_RNA) where: Base-Base interactions energy: -1434.760 where: short stacking energy: -585.486 Base-Backbone interact. energy: -5.425 local terms energy: -617.561859 where: bonds (distance) C4'-P energy: -106.771 bonds (distance) P-C4' energy: -112.233 flat angles C4'-P-C4' energy: -127.680 flat angles P-C4'-P energy: -84.544 tors. eta vs tors. theta energy: -186.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1930.213960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.213960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.213960 (E_RNA) where: Base-Base interactions energy: -1331.149 where: short stacking energy: -549.866 Base-Backbone interact. energy: -3.303 local terms energy: -595.762281 where: bonds (distance) C4'-P energy: -106.142 bonds (distance) P-C4' energy: -99.647 flat angles C4'-P-C4' energy: -139.705 flat angles P-C4'-P energy: -83.450 tors. eta vs tors. theta energy: -166.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1822.739909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.739909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.739909 (E_RNA) where: Base-Base interactions energy: -1219.868 where: short stacking energy: -509.057 Base-Backbone interact. energy: -1.354 local terms energy: -601.517459 where: bonds (distance) C4'-P energy: -116.724 bonds (distance) P-C4' energy: -124.647 flat angles C4'-P-C4' energy: -128.356 flat angles P-C4'-P energy: -77.327 tors. eta vs tors. theta energy: -154.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1585.949851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.949851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.949851 (E_RNA) where: Base-Base interactions energy: -1034.293 where: short stacking energy: -449.595 Base-Backbone interact. energy: -0.195 local terms energy: -551.462680 where: bonds (distance) C4'-P energy: -94.609 bonds (distance) P-C4' energy: -128.231 flat angles C4'-P-C4' energy: -128.352 flat angles P-C4'-P energy: -77.582 tors. eta vs tors. theta energy: -122.688 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: 3 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1673.602356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.602356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.602356 (E_RNA) where: Base-Base interactions energy: -1124.041 where: short stacking energy: -478.492 Base-Backbone interact. energy: -2.960 local terms energy: -546.601149 where: bonds (distance) C4'-P energy: -108.421 bonds (distance) P-C4' energy: -100.027 flat angles C4'-P-C4' energy: -119.705 flat angles P-C4'-P energy: -72.849 tors. eta vs tors. theta energy: -145.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1183.232851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.232851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.232851 (E_RNA) where: Base-Base interactions energy: -749.123 where: short stacking energy: -336.977 Base-Backbone interact. energy: 4.023 local terms energy: -438.133153 where: bonds (distance) C4'-P energy: -98.630 bonds (distance) P-C4' energy: -107.763 flat angles C4'-P-C4' energy: -116.188 flat angles P-C4'-P energy: -57.622 tors. eta vs tors. theta energy: -57.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -876.510755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.510755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.510755 (E_RNA) where: Base-Base interactions energy: -494.070 where: short stacking energy: -269.814 Base-Backbone interact. energy: -0.788 local terms energy: -381.652899 where: bonds (distance) C4'-P energy: -98.786 bonds (distance) P-C4' energy: -93.089 flat angles C4'-P-C4' energy: -94.790 flat angles P-C4'-P energy: -50.490 tors. eta vs tors. theta energy: -44.498 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: 8 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -662.133074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.133074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.133074 (E_RNA) where: Base-Base interactions energy: -301.219 where: short stacking energy: -182.880 Base-Backbone interact. energy: 0.091 local terms energy: -361.005553 where: bonds (distance) C4'-P energy: -110.332 bonds (distance) P-C4' energy: -107.111 flat angles C4'-P-C4' energy: -91.859 flat angles P-C4'-P energy: -52.045 tors. eta vs tors. theta energy: 0.341 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: 9 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -438.198447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.198447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.198447 (E_RNA) where: Base-Base interactions energy: -128.210 where: short stacking energy: -107.362 Base-Backbone interact. energy: -2.756 local terms energy: -307.232663 where: bonds (distance) C4'-P energy: -94.771 bonds (distance) P-C4' energy: -95.248 flat angles C4'-P-C4' energy: -93.666 flat angles P-C4'-P energy: -43.202 tors. eta vs tors. theta energy: 19.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2134.984519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.984519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.984519 (E_RNA) where: Base-Base interactions energy: -1484.308 where: short stacking energy: -599.363 Base-Backbone interact. energy: -3.562 local terms energy: -647.114597 where: bonds (distance) C4'-P energy: -117.482 bonds (distance) P-C4' energy: -135.234 flat angles C4'-P-C4' energy: -134.764 flat angles P-C4'-P energy: -82.237 tors. eta vs tors. theta energy: -177.397 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: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2073.154399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.154399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.154399 (E_RNA) where: Base-Base interactions energy: -1461.442 where: short stacking energy: -609.799 Base-Backbone interact. energy: -1.925 local terms energy: -609.787543 where: bonds (distance) C4'-P energy: -101.503 bonds (distance) P-C4' energy: -99.945 flat angles C4'-P-C4' energy: -137.268 flat angles P-C4'-P energy: -94.812 tors. eta vs tors. theta energy: -176.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1942.972362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.972362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.972362 (E_RNA) where: Base-Base interactions energy: -1326.090 where: short stacking energy: -542.842 Base-Backbone interact. energy: -1.858 local terms energy: -615.023607 where: bonds (distance) C4'-P energy: -104.368 bonds (distance) P-C4' energy: -116.371 flat angles C4'-P-C4' energy: -130.159 flat angles P-C4'-P energy: -91.318 tors. eta vs tors. theta energy: -172.807 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: 5 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1879.516755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.516755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.516755 (E_RNA) where: Base-Base interactions energy: -1292.134 where: short stacking energy: -575.941 Base-Backbone interact. energy: -1.890 local terms energy: -585.492562 where: bonds (distance) C4'-P energy: -96.058 bonds (distance) P-C4' energy: -108.143 flat angles C4'-P-C4' energy: -120.852 flat angles P-C4'-P energy: -79.609 tors. eta vs tors. theta energy: -180.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1583.058136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.058136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.058136 (E_RNA) where: Base-Base interactions energy: -1051.072 where: short stacking energy: -468.981 Base-Backbone interact. energy: -2.033 local terms energy: -529.952609 where: bonds (distance) C4'-P energy: -110.855 bonds (distance) P-C4' energy: -109.225 flat angles C4'-P-C4' energy: -114.105 flat angles P-C4'-P energy: -62.526 tors. eta vs tors. theta energy: -133.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1662.098365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.098365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.098365 (E_RNA) where: Base-Base interactions energy: -1098.538 where: short stacking energy: -457.205 Base-Backbone interact. energy: 2.281 local terms energy: -565.841995 where: bonds (distance) C4'-P energy: -111.714 bonds (distance) P-C4' energy: -104.647 flat angles C4'-P-C4' energy: -125.144 flat angles P-C4'-P energy: -89.901 tors. eta vs tors. theta energy: -134.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1268.621531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.621531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.621531 (E_RNA) where: Base-Base interactions energy: -788.534 where: short stacking energy: -339.618 Base-Backbone interact. energy: -2.826 local terms energy: -477.261814 where: bonds (distance) C4'-P energy: -118.558 bonds (distance) P-C4' energy: -110.429 flat angles C4'-P-C4' energy: -111.963 flat angles P-C4'-P energy: -63.538 tors. eta vs tors. theta energy: -72.774 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: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -876.369229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.369229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.369229 (E_RNA) where: Base-Base interactions energy: -469.853 where: short stacking energy: -242.045 Base-Backbone interact. energy: -0.435 local terms energy: -406.080397 where: bonds (distance) C4'-P energy: -71.830 bonds (distance) P-C4' energy: -122.477 flat angles C4'-P-C4' energy: -110.574 flat angles P-C4'-P energy: -69.952 tors. eta vs tors. theta energy: -31.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -631.664226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.664226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.664226 (E_RNA) where: Base-Base interactions energy: -303.053 where: short stacking energy: -211.086 Base-Backbone interact. energy: -0.679 local terms energy: -327.931768 where: bonds (distance) C4'-P energy: -102.283 bonds (distance) P-C4' energy: -101.733 flat angles C4'-P-C4' energy: -81.748 flat angles P-C4'-P energy: -40.466 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -449.265728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.265728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.265728 (E_RNA) where: Base-Base interactions energy: -128.702 where: short stacking energy: -113.521 Base-Backbone interact. energy: -2.262 local terms energy: -318.301979 where: bonds (distance) C4'-P energy: -97.812 bonds (distance) P-C4' energy: -110.468 flat angles C4'-P-C4' energy: -83.826 flat angles P-C4'-P energy: -44.240 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: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2108.143901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.143901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.143901 (E_RNA) where: Base-Base interactions energy: -1447.330 where: short stacking energy: -583.296 Base-Backbone interact. energy: 1.250 local terms energy: -662.064168 where: bonds (distance) C4'-P energy: -126.948 bonds (distance) P-C4' energy: -125.461 flat angles C4'-P-C4' energy: -133.853 flat angles P-C4'-P energy: -96.322 tors. eta vs tors. theta energy: -179.480 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: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2050.038228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.038228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.038228 (E_RNA) where: Base-Base interactions energy: -1389.902 where: short stacking energy: -593.272 Base-Backbone interact. energy: -3.827 local terms energy: -656.308475 where: bonds (distance) C4'-P energy: -120.129 bonds (distance) P-C4' energy: -113.633 flat angles C4'-P-C4' energy: -134.510 flat angles P-C4'-P energy: -102.225 tors. eta vs tors. theta energy: -185.810 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: 4 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1910.479439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.479439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.479439 (E_RNA) where: Base-Base interactions energy: -1286.930 where: short stacking energy: -548.207 Base-Backbone interact. energy: -3.713 local terms energy: -619.836384 where: bonds (distance) C4'-P energy: -113.751 bonds (distance) P-C4' energy: -113.426 flat angles C4'-P-C4' energy: -130.237 flat angles P-C4'-P energy: -101.407 tors. eta vs tors. theta energy: -161.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1864.007774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.007774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.007774 (E_RNA) where: Base-Base interactions energy: -1255.630 where: short stacking energy: -552.588 Base-Backbone interact. energy: 0.308 local terms energy: -608.686013 where: bonds (distance) C4'-P energy: -109.596 bonds (distance) P-C4' energy: -112.455 flat angles C4'-P-C4' energy: -129.526 flat angles P-C4'-P energy: -89.494 tors. eta vs tors. theta energy: -167.615 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: 298 Temperature: 1.100000 Total energy: -1707.002530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.002530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.002530 (E_RNA) where: Base-Base interactions energy: -1171.289 where: short stacking energy: -481.787 Base-Backbone interact. energy: -0.870 local terms energy: -534.843786 where: bonds (distance) C4'-P energy: -103.872 bonds (distance) P-C4' energy: -98.294 flat angles C4'-P-C4' energy: -125.945 flat angles P-C4'-P energy: -70.367 tors. eta vs tors. theta energy: -136.365 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: 298 Temperature: 1.150000 Total energy: -1551.155735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.155735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.155735 (E_RNA) where: Base-Base interactions energy: -983.576 where: short stacking energy: -452.926 Base-Backbone interact. energy: -1.769 local terms energy: -565.811087 where: bonds (distance) C4'-P energy: -109.987 bonds (distance) P-C4' energy: -126.425 flat angles C4'-P-C4' energy: -118.614 flat angles P-C4'-P energy: -72.790 tors. eta vs tors. theta energy: -137.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1283.551057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.551057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.551057 (E_RNA) where: Base-Base interactions energy: -828.519 where: short stacking energy: -350.145 Base-Backbone interact. energy: 5.445 local terms energy: -460.476351 where: bonds (distance) C4'-P energy: -106.104 bonds (distance) P-C4' energy: -97.954 flat angles C4'-P-C4' energy: -111.807 flat angles P-C4'-P energy: -53.002 tors. eta vs tors. theta energy: -91.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -915.736126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.736126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.736126 (E_RNA) where: Base-Base interactions energy: -549.478 where: short stacking energy: -251.652 Base-Backbone interact. energy: 0.639 local terms energy: -366.897163 where: bonds (distance) C4'-P energy: -100.656 bonds (distance) P-C4' energy: -105.981 flat angles C4'-P-C4' energy: -81.556 flat angles P-C4'-P energy: -68.525 tors. eta vs tors. theta energy: -10.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -642.751323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.751323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.751323 (E_RNA) where: Base-Base interactions energy: -277.792 where: short stacking energy: -170.634 Base-Backbone interact. energy: -0.400 local terms energy: -364.559519 where: bonds (distance) C4'-P energy: -102.922 bonds (distance) P-C4' energy: -105.750 flat angles C4'-P-C4' energy: -90.595 flat angles P-C4'-P energy: -65.894 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: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -512.606278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.606278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.606278 (E_RNA) where: Base-Base interactions energy: -199.014 where: short stacking energy: -165.668 Base-Backbone interact. energy: -4.056 local terms energy: -309.535798 where: bonds (distance) C4'-P energy: -100.283 bonds (distance) P-C4' energy: -110.211 flat angles C4'-P-C4' energy: -58.126 flat angles P-C4'-P energy: -46.039 tors. eta vs tors. theta energy: 5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2157.330035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.330035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.330035 (E_RNA) where: Base-Base interactions energy: -1501.787 where: short stacking energy: -606.101 Base-Backbone interact. energy: -3.053 local terms energy: -652.490048 where: bonds (distance) C4'-P energy: -114.844 bonds (distance) P-C4' energy: -130.864 flat angles C4'-P-C4' energy: -130.166 flat angles P-C4'-P energy: -94.926 tors. eta vs tors. theta energy: -181.689 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: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2055.004209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.004209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.004209 (E_RNA) where: Base-Base interactions energy: -1394.676 where: short stacking energy: -583.399 Base-Backbone interact. energy: 5.071 local terms energy: -665.398828 where: bonds (distance) C4'-P energy: -115.715 bonds (distance) P-C4' energy: -134.590 flat angles C4'-P-C4' energy: -134.593 flat angles P-C4'-P energy: -93.091 tors. eta vs tors. theta energy: -187.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1926.126550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.126550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.126550 (E_RNA) where: Base-Base interactions energy: -1303.864 where: short stacking energy: -565.832 Base-Backbone interact. energy: 2.721 local terms energy: -624.984045 where: bonds (distance) C4'-P energy: -114.115 bonds (distance) P-C4' energy: -121.383 flat angles C4'-P-C4' energy: -128.274 flat angles P-C4'-P energy: -89.465 tors. eta vs tors. theta energy: -171.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1880.012779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.012779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.012779 (E_RNA) where: Base-Base interactions energy: -1277.105 where: short stacking energy: -539.319 Base-Backbone interact. energy: -2.357 local terms energy: -600.550556 where: bonds (distance) C4'-P energy: -107.945 bonds (distance) P-C4' energy: -121.702 flat angles C4'-P-C4' energy: -135.225 flat angles P-C4'-P energy: -71.773 tors. eta vs tors. theta energy: -163.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1705.800439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.800439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.800439 (E_RNA) where: Base-Base interactions energy: -1170.176 where: short stacking energy: -461.096 Base-Backbone interact. energy: 0.235 local terms energy: -535.858571 where: bonds (distance) C4'-P energy: -104.664 bonds (distance) P-C4' energy: -117.409 flat angles C4'-P-C4' energy: -121.141 flat angles P-C4'-P energy: -65.501 tors. eta vs tors. theta energy: -127.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1509.665995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.665995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.665995 (E_RNA) where: Base-Base interactions energy: -963.914 where: short stacking energy: -438.769 Base-Backbone interact. energy: -2.401 local terms energy: -543.350915 where: bonds (distance) C4'-P energy: -111.092 bonds (distance) P-C4' energy: -114.635 flat angles C4'-P-C4' energy: -117.799 flat angles P-C4'-P energy: -71.308 tors. eta vs tors. theta energy: -128.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1274.884607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.884607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.884607 (E_RNA) where: Base-Base interactions energy: -836.292 where: short stacking energy: -322.343 Base-Backbone interact. energy: 1.966 local terms energy: -440.558213 where: bonds (distance) C4'-P energy: -104.284 bonds (distance) P-C4' energy: -87.857 flat angles C4'-P-C4' energy: -101.533 flat angles P-C4'-P energy: -78.132 tors. eta vs tors. theta energy: -68.753 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: 6 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -890.497323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.497323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.497323 (E_RNA) where: Base-Base interactions energy: -547.830 where: short stacking energy: -240.391 Base-Backbone interact. energy: 2.191 local terms energy: -344.857918 where: bonds (distance) C4'-P energy: -105.041 bonds (distance) P-C4' energy: -98.321 flat angles C4'-P-C4' energy: -81.936 flat angles P-C4'-P energy: -46.066 tors. eta vs tors. theta energy: -13.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -640.657001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.657001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.657001 (E_RNA) where: Base-Base interactions energy: -281.588 where: short stacking energy: -176.261 Base-Backbone interact. energy: 0.686 local terms energy: -359.755143 where: bonds (distance) C4'-P energy: -105.433 bonds (distance) P-C4' energy: -102.795 flat angles C4'-P-C4' energy: -98.963 flat angles P-C4'-P energy: -53.670 tors. eta vs tors. theta energy: 1.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -481.894957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.894957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.894957 (E_RNA) where: Base-Base interactions energy: -159.561 where: short stacking energy: -127.592 Base-Backbone interact. energy: 2.062 local terms energy: -324.395439 where: bonds (distance) C4'-P energy: -106.149 bonds (distance) P-C4' energy: -100.172 flat angles C4'-P-C4' energy: -88.442 flat angles P-C4'-P energy: -47.218 tors. eta vs tors. theta energy: 17.586 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: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2139.542093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.542093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.542093 (E_RNA) where: Base-Base interactions energy: -1487.151 where: short stacking energy: -589.284 Base-Backbone interact. energy: -3.923 local terms energy: -648.468344 where: bonds (distance) C4'-P energy: -135.708 bonds (distance) P-C4' energy: -116.061 flat angles C4'-P-C4' energy: -128.748 flat angles P-C4'-P energy: -94.922 tors. eta vs tors. theta energy: -173.030 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: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2071.340405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.340405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.340405 (E_RNA) where: Base-Base interactions energy: -1422.739 where: short stacking energy: -611.936 Base-Backbone interact. energy: -3.434 local terms energy: -645.167181 where: bonds (distance) C4'-P energy: -117.606 bonds (distance) P-C4' energy: -109.835 flat angles C4'-P-C4' energy: -139.723 flat angles P-C4'-P energy: -95.971 tors. eta vs tors. theta energy: -182.032 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: 4 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1923.635922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.635922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.635922 (E_RNA) where: Base-Base interactions energy: -1295.829 where: short stacking energy: -534.151 Base-Backbone interact. energy: -4.127 local terms energy: -623.679317 where: bonds (distance) C4'-P energy: -120.762 bonds (distance) P-C4' energy: -123.733 flat angles C4'-P-C4' energy: -129.883 flat angles P-C4'-P energy: -77.960 tors. eta vs tors. theta energy: -171.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1827.284337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.284337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.284337 (E_RNA) where: Base-Base interactions energy: -1238.619 where: short stacking energy: -525.518 Base-Backbone interact. energy: -1.837 local terms energy: -586.829124 where: bonds (distance) C4'-P energy: -108.177 bonds (distance) P-C4' energy: -107.738 flat angles C4'-P-C4' energy: -127.697 flat angles P-C4'-P energy: -86.630 tors. eta vs tors. theta energy: -156.587 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: 5, replica: 3 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1742.238793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.238793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.238793 (E_RNA) where: Base-Base interactions energy: -1174.959 where: short stacking energy: -486.838 Base-Backbone interact. energy: -0.581 local terms energy: -566.698819 where: bonds (distance) C4'-P energy: -90.039 bonds (distance) P-C4' energy: -116.734 flat angles C4'-P-C4' energy: -134.691 flat angles P-C4'-P energy: -73.756 tors. eta vs tors. theta energy: -151.478 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: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1490.599382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.599382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.599382 (E_RNA) where: Base-Base interactions energy: -950.719 where: short stacking energy: -433.781 Base-Backbone interact. energy: -1.651 local terms energy: -538.229539 where: bonds (distance) C4'-P energy: -106.858 bonds (distance) P-C4' energy: -127.442 flat angles C4'-P-C4' energy: -118.601 flat angles P-C4'-P energy: -62.136 tors. eta vs tors. theta energy: -123.194 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: 10 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1306.482225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.482225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.482225 (E_RNA) where: Base-Base interactions energy: -850.380 where: short stacking energy: -360.395 Base-Backbone interact. energy: -4.680 local terms energy: -451.421606 where: bonds (distance) C4'-P energy: -100.224 bonds (distance) P-C4' energy: -103.945 flat angles C4'-P-C4' energy: -100.886 flat angles P-C4'-P energy: -76.039 tors. eta vs tors. theta energy: -70.327 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: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -885.627300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.627300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.627300 (E_RNA) where: Base-Base interactions energy: -522.025 where: short stacking energy: -265.700 Base-Backbone interact. energy: 0.124 local terms energy: -363.725415 where: bonds (distance) C4'-P energy: -101.259 bonds (distance) P-C4' energy: -94.329 flat angles C4'-P-C4' energy: -94.547 flat angles P-C4'-P energy: -42.381 tors. eta vs tors. theta energy: -31.210 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: 8 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -599.416358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.416358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.416358 (E_RNA) where: Base-Base interactions energy: -266.840 where: short stacking energy: -180.937 Base-Backbone interact. energy: -0.318 local terms energy: -332.258551 where: bonds (distance) C4'-P energy: -101.518 bonds (distance) P-C4' energy: -73.270 flat angles C4'-P-C4' energy: -104.837 flat angles P-C4'-P energy: -59.371 tors. eta vs tors. theta energy: 6.738 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: 10, replica: 9 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -480.991912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.991912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.991912 (E_RNA) where: Base-Base interactions energy: -204.497 where: short stacking energy: -143.915 Base-Backbone interact. energy: 0.836 local terms energy: -277.331110 where: bonds (distance) C4'-P energy: -80.082 bonds (distance) P-C4' energy: -99.439 flat angles C4'-P-C4' energy: -78.459 flat angles P-C4'-P energy: -43.349 tors. eta vs tors. theta energy: 23.999 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: 1, replica: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2137.363193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.363193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.363193 (E_RNA) where: Base-Base interactions energy: -1492.550 where: short stacking energy: -598.659 Base-Backbone interact. energy: 2.397 local terms energy: -647.210844 where: bonds (distance) C4'-P energy: -121.441 bonds (distance) P-C4' energy: -126.449 flat angles C4'-P-C4' energy: -143.539 flat angles P-C4'-P energy: -82.762 tors. eta vs tors. theta energy: -173.021 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: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2044.061903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.061903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.061903 (E_RNA) where: Base-Base interactions energy: -1412.301 where: short stacking energy: -579.071 Base-Backbone interact. energy: 3.467 local terms energy: -635.228339 where: bonds (distance) C4'-P energy: -120.405 bonds (distance) P-C4' energy: -118.281 flat angles C4'-P-C4' energy: -131.209 flat angles P-C4'-P energy: -90.864 tors. eta vs tors. theta energy: -174.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1950.551969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.551969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.551969 (E_RNA) where: Base-Base interactions energy: -1333.512 where: short stacking energy: -540.407 Base-Backbone interact. energy: -0.702 local terms energy: -616.337885 where: bonds (distance) C4'-P energy: -111.561 bonds (distance) P-C4' energy: -119.056 flat angles C4'-P-C4' energy: -137.951 flat angles P-C4'-P energy: -72.929 tors. eta vs tors. theta energy: -174.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1811.698310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.698310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.698310 (E_RNA) where: Base-Base interactions energy: -1245.886 where: short stacking energy: -511.532 Base-Backbone interact. energy: -0.143 local terms energy: -565.669022 where: bonds (distance) C4'-P energy: -104.156 bonds (distance) P-C4' energy: -117.035 flat angles C4'-P-C4' energy: -127.703 flat angles P-C4'-P energy: -72.728 tors. eta vs tors. theta energy: -144.047 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: 5 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1737.992399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.992399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.992399 (E_RNA) where: Base-Base interactions energy: -1168.929 where: short stacking energy: -469.997 Base-Backbone interact. energy: 0.240 local terms energy: -569.303080 where: bonds (distance) C4'-P energy: -107.924 bonds (distance) P-C4' energy: -114.218 flat angles C4'-P-C4' energy: -128.763 flat angles P-C4'-P energy: -69.557 tors. eta vs tors. theta energy: -148.841 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: 301 Temperature: 1.150000 Total energy: -1447.724608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.724608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.724608 (E_RNA) where: Base-Base interactions energy: -952.007 where: short stacking energy: -429.834 Base-Backbone interact. energy: 2.680 local terms energy: -498.397120 where: bonds (distance) C4'-P energy: -107.399 bonds (distance) P-C4' energy: -111.629 flat angles C4'-P-C4' energy: -97.086 flat angles P-C4'-P energy: -70.778 tors. eta vs tors. theta energy: -111.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1292.024676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.024676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.024676 (E_RNA) where: Base-Base interactions energy: -846.633 where: short stacking energy: -363.299 Base-Backbone interact. energy: -0.999 local terms energy: -444.392686 where: bonds (distance) C4'-P energy: -94.331 bonds (distance) P-C4' energy: -100.639 flat angles C4'-P-C4' energy: -117.240 flat angles P-C4'-P energy: -56.950 tors. eta vs tors. theta energy: -75.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -878.975207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.975207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.975207 (E_RNA) where: Base-Base interactions energy: -502.394 where: short stacking energy: -246.482 Base-Backbone interact. energy: -2.905 local terms energy: -373.675937 where: bonds (distance) C4'-P energy: -97.308 bonds (distance) P-C4' energy: -107.385 flat angles C4'-P-C4' energy: -92.245 flat angles P-C4'-P energy: -58.606 tors. eta vs tors. theta energy: -18.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -599.882587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.882587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.882587 (E_RNA) where: Base-Base interactions energy: -265.817 where: short stacking energy: -193.514 Base-Backbone interact. energy: 0.453 local terms energy: -334.518795 where: bonds (distance) C4'-P energy: -94.483 bonds (distance) P-C4' energy: -107.585 flat angles C4'-P-C4' energy: -81.534 flat angles P-C4'-P energy: -46.488 tors. eta vs tors. theta energy: -4.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -455.191868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.191868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.191868 (E_RNA) where: Base-Base interactions energy: -132.951 where: short stacking energy: -106.845 Base-Backbone interact. energy: 0.343 local terms energy: -322.583629 where: bonds (distance) C4'-P energy: -97.796 bonds (distance) P-C4' energy: -98.303 flat angles C4'-P-C4' energy: -94.277 flat angles P-C4'-P energy: -56.415 tors. eta vs tors. theta energy: 24.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2131.344177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.344177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.344177 (E_RNA) where: Base-Base interactions energy: -1484.916 where: short stacking energy: -621.478 Base-Backbone interact. energy: -2.729 local terms energy: -643.699419 where: bonds (distance) C4'-P energy: -117.258 bonds (distance) P-C4' energy: -106.287 flat angles C4'-P-C4' energy: -145.975 flat angles P-C4'-P energy: -94.348 tors. eta vs tors. theta energy: -179.832 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: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2073.625224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.625224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.625224 (E_RNA) where: Base-Base interactions energy: -1434.900 where: short stacking energy: -603.111 Base-Backbone interact. energy: 0.340 local terms energy: -639.065825 where: bonds (distance) C4'-P energy: -109.828 bonds (distance) P-C4' energy: -112.438 flat angles C4'-P-C4' energy: -149.811 flat angles P-C4'-P energy: -85.158 tors. eta vs tors. theta energy: -181.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1900.187097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.187097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.187097 (E_RNA) where: Base-Base interactions energy: -1282.701 where: short stacking energy: -519.895 Base-Backbone interact. energy: -2.130 local terms energy: -615.355777 where: bonds (distance) C4'-P energy: -109.195 bonds (distance) P-C4' energy: -121.757 flat angles C4'-P-C4' energy: -130.529 flat angles P-C4'-P energy: -86.373 tors. eta vs tors. theta energy: -167.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1779.584409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.584409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.584409 (E_RNA) where: Base-Base interactions energy: -1228.371 where: short stacking energy: -494.259 Base-Backbone interact. energy: -0.477 local terms energy: -550.736571 where: bonds (distance) C4'-P energy: -87.649 bonds (distance) P-C4' energy: -118.484 flat angles C4'-P-C4' energy: -125.708 flat angles P-C4'-P energy: -65.916 tors. eta vs tors. theta energy: -152.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1702.242111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.242111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.242111 (E_RNA) where: Base-Base interactions energy: -1144.791 where: short stacking energy: -503.352 Base-Backbone interact. energy: -3.006 local terms energy: -554.445054 where: bonds (distance) C4'-P energy: -113.243 bonds (distance) P-C4' energy: -118.004 flat angles C4'-P-C4' energy: -114.724 flat angles P-C4'-P energy: -73.723 tors. eta vs tors. theta energy: -134.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1414.616839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.616839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.616839 (E_RNA) where: Base-Base interactions energy: -912.497 where: short stacking energy: -386.719 Base-Backbone interact. energy: -0.872 local terms energy: -501.248566 where: bonds (distance) C4'-P energy: -104.206 bonds (distance) P-C4' energy: -106.685 flat angles C4'-P-C4' energy: -114.447 flat angles P-C4'-P energy: -68.477 tors. eta vs tors. theta energy: -107.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1263.850206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.850206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.850206 (E_RNA) where: Base-Base interactions energy: -817.793 where: short stacking energy: -359.491 Base-Backbone interact. energy: -5.340 local terms energy: -440.717476 where: bonds (distance) C4'-P energy: -103.260 bonds (distance) P-C4' energy: -111.989 flat angles C4'-P-C4' energy: -90.947 flat angles P-C4'-P energy: -61.670 tors. eta vs tors. theta energy: -72.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -875.895986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.895986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.895986 (E_RNA) where: Base-Base interactions energy: -490.362 where: short stacking energy: -215.972 Base-Backbone interact. energy: 2.772 local terms energy: -388.305974 where: bonds (distance) C4'-P energy: -109.411 bonds (distance) P-C4' energy: -116.163 flat angles C4'-P-C4' energy: -98.760 flat angles P-C4'-P energy: -56.691 tors. eta vs tors. theta energy: -7.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -585.319224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.319224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.319224 (E_RNA) where: Base-Base interactions energy: -246.257 where: short stacking energy: -161.991 Base-Backbone interact. energy: 0.179 local terms energy: -339.241279 where: bonds (distance) C4'-P energy: -97.209 bonds (distance) P-C4' energy: -79.826 flat angles C4'-P-C4' energy: -97.291 flat angles P-C4'-P energy: -68.333 tors. eta vs tors. theta energy: 3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -462.832440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.832440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.832440 (E_RNA) where: Base-Base interactions energy: -165.543 where: short stacking energy: -119.028 Base-Backbone interact. energy: 6.353 local terms energy: -303.643290 where: bonds (distance) C4'-P energy: -97.694 bonds (distance) P-C4' energy: -83.582 flat angles C4'-P-C4' energy: -72.410 flat angles P-C4'-P energy: -76.466 tors. eta vs tors. theta energy: 26.508 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: 1 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2131.610252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.610252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.610252 (E_RNA) where: Base-Base interactions energy: -1466.129 where: short stacking energy: -603.730 Base-Backbone interact. energy: -4.585 local terms energy: -660.896544 where: bonds (distance) C4'-P energy: -112.286 bonds (distance) P-C4' energy: -129.245 flat angles C4'-P-C4' energy: -145.591 flat angles P-C4'-P energy: -99.940 tors. eta vs tors. theta energy: -173.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2061.902081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.902081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.902081 (E_RNA) where: Base-Base interactions energy: -1385.062 where: short stacking energy: -590.470 Base-Backbone interact. energy: 0.873 local terms energy: -677.712268 where: bonds (distance) C4'-P energy: -121.388 bonds (distance) P-C4' energy: -127.451 flat angles C4'-P-C4' energy: -141.041 flat angles P-C4'-P energy: -101.684 tors. eta vs tors. theta energy: -186.148 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: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1920.328129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.328129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.328129 (E_RNA) where: Base-Base interactions energy: -1328.353 where: short stacking energy: -545.793 Base-Backbone interact. energy: -1.802 local terms energy: -590.173020 where: bonds (distance) C4'-P energy: -128.825 bonds (distance) P-C4' energy: -96.492 flat angles C4'-P-C4' energy: -125.118 flat angles P-C4'-P energy: -76.036 tors. eta vs tors. theta energy: -163.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1796.441623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.441623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.441623 (E_RNA) where: Base-Base interactions energy: -1243.923 where: short stacking energy: -499.184 Base-Backbone interact. energy: 3.041 local terms energy: -555.559342 where: bonds (distance) C4'-P energy: -112.736 bonds (distance) P-C4' energy: -103.818 flat angles C4'-P-C4' energy: -113.162 flat angles P-C4'-P energy: -77.123 tors. eta vs tors. theta energy: -148.721 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: 303 Temperature: 1.100000 Total energy: -1719.823300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.823300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.823300 (E_RNA) where: Base-Base interactions energy: -1165.547 where: short stacking energy: -496.671 Base-Backbone interact. energy: -1.635 local terms energy: -552.641740 where: bonds (distance) C4'-P energy: -126.078 bonds (distance) P-C4' energy: -120.763 flat angles C4'-P-C4' energy: -110.951 flat angles P-C4'-P energy: -64.520 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: 6, replica: 2 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1430.221184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.221184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.221184 (E_RNA) where: Base-Base interactions energy: -926.068 where: short stacking energy: -405.570 Base-Backbone interact. energy: -0.489 local terms energy: -503.664514 where: bonds (distance) C4'-P energy: -104.086 bonds (distance) P-C4' energy: -100.581 flat angles C4'-P-C4' energy: -117.452 flat angles P-C4'-P energy: -67.123 tors. eta vs tors. theta energy: -114.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1202.382034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.382034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.382034 (E_RNA) where: Base-Base interactions energy: -769.883 where: short stacking energy: -348.731 Base-Backbone interact. energy: 1.410 local terms energy: -433.909235 where: bonds (distance) C4'-P energy: -106.434 bonds (distance) P-C4' energy: -115.508 flat angles C4'-P-C4' energy: -80.603 flat angles P-C4'-P energy: -72.393 tors. eta vs tors. theta energy: -58.972 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: 8, replica: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -906.608978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.608978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.608978 (E_RNA) where: Base-Base interactions energy: -533.173 where: short stacking energy: -276.355 Base-Backbone interact. energy: -1.571 local terms energy: -371.865831 where: bonds (distance) C4'-P energy: -101.672 bonds (distance) P-C4' energy: -91.808 flat angles C4'-P-C4' energy: -104.481 flat angles P-C4'-P energy: -50.191 tors. eta vs tors. theta energy: -23.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -625.305488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.305488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.305488 (E_RNA) where: Base-Base interactions energy: -285.101 where: short stacking energy: -191.625 Base-Backbone interact. energy: -0.099 local terms energy: -340.105493 where: bonds (distance) C4'-P energy: -102.482 bonds (distance) P-C4' energy: -114.111 flat angles C4'-P-C4' energy: -81.761 flat angles P-C4'-P energy: -34.804 tors. eta vs tors. theta energy: -6.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -442.307523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.307523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.307523 (E_RNA) where: Base-Base interactions energy: -147.919 where: short stacking energy: -105.822 Base-Backbone interact. energy: 1.083 local terms energy: -295.471164 where: bonds (distance) C4'-P energy: -107.327 bonds (distance) P-C4' energy: -97.365 flat angles C4'-P-C4' energy: -76.091 flat angles P-C4'-P energy: -58.032 tors. eta vs tors. theta energy: 43.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2124.959320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.959320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.959320 (E_RNA) where: Base-Base interactions energy: -1471.562 where: short stacking energy: -600.728 Base-Backbone interact. energy: -3.922 local terms energy: -649.475604 where: bonds (distance) C4'-P energy: -110.075 bonds (distance) P-C4' energy: -134.466 flat angles C4'-P-C4' energy: -140.698 flat angles P-C4'-P energy: -92.169 tors. eta vs tors. theta energy: -172.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2049.487258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.487258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.487258 (E_RNA) where: Base-Base interactions energy: -1405.284 where: short stacking energy: -565.913 Base-Backbone interact. energy: -1.570 local terms energy: -642.633176 where: bonds (distance) C4'-P energy: -112.500 bonds (distance) P-C4' energy: -127.934 flat angles C4'-P-C4' energy: -141.822 flat angles P-C4'-P energy: -79.861 tors. eta vs tors. theta energy: -180.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1921.979815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.979815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.979815 (E_RNA) where: Base-Base interactions energy: -1316.921 where: short stacking energy: -537.289 Base-Backbone interact. energy: -1.362 local terms energy: -603.697141 where: bonds (distance) C4'-P energy: -117.153 bonds (distance) P-C4' energy: -108.620 flat angles C4'-P-C4' energy: -129.775 flat angles P-C4'-P energy: -88.817 tors. eta vs tors. theta energy: -159.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1802.755895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.755895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.755895 (E_RNA) where: Base-Base interactions energy: -1235.393 where: short stacking energy: -519.200 Base-Backbone interact. energy: -2.257 local terms energy: -565.106170 where: bonds (distance) C4'-P energy: -115.828 bonds (distance) P-C4' energy: -80.948 flat angles C4'-P-C4' energy: -126.758 flat angles P-C4'-P energy: -86.218 tors. eta vs tors. theta energy: -155.354 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: 5 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1721.536083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.536083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.536083 (E_RNA) where: Base-Base interactions energy: -1200.151 where: short stacking energy: -477.783 Base-Backbone interact. energy: -1.771 local terms energy: -519.614083 where: bonds (distance) C4'-P energy: -100.032 bonds (distance) P-C4' energy: -105.831 flat angles C4'-P-C4' energy: -123.367 flat angles P-C4'-P energy: -64.164 tors. eta vs tors. theta energy: -126.220 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: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1499.064650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.064650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.064650 (E_RNA) where: Base-Base interactions energy: -998.600 where: short stacking energy: -453.388 Base-Backbone interact. energy: -1.517 local terms energy: -498.947590 where: bonds (distance) C4'-P energy: -92.270 bonds (distance) P-C4' energy: -113.868 flat angles C4'-P-C4' energy: -99.116 flat angles P-C4'-P energy: -67.554 tors. eta vs tors. theta energy: -126.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1186.763255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.763255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.763255 (E_RNA) where: Base-Base interactions energy: -746.982 where: short stacking energy: -360.451 Base-Backbone interact. energy: 10.510 local terms energy: -450.291917 where: bonds (distance) C4'-P energy: -88.657 bonds (distance) P-C4' energy: -107.928 flat angles C4'-P-C4' energy: -109.006 flat angles P-C4'-P energy: -55.525 tors. eta vs tors. theta energy: -89.175 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: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -917.236587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.236587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.236587 (E_RNA) where: Base-Base interactions energy: -544.348 where: short stacking energy: -263.067 Base-Backbone interact. energy: -3.420 local terms energy: -369.467856 where: bonds (distance) C4'-P energy: -101.537 bonds (distance) P-C4' energy: -88.260 flat angles C4'-P-C4' energy: -86.285 flat angles P-C4'-P energy: -52.073 tors. eta vs tors. theta energy: -41.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -683.139165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.139165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.139165 (E_RNA) where: Base-Base interactions energy: -308.980 where: short stacking energy: -211.990 Base-Backbone interact. energy: -1.011 local terms energy: -373.148755 where: bonds (distance) C4'-P energy: -102.178 bonds (distance) P-C4' energy: -98.214 flat angles C4'-P-C4' energy: -98.768 flat angles P-C4'-P energy: -63.646 tors. eta vs tors. theta energy: -10.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -461.321324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.321324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.321324 (E_RNA) where: Base-Base interactions energy: -157.087 where: short stacking energy: -113.954 Base-Backbone interact. energy: -0.902 local terms energy: -303.332475 where: bonds (distance) C4'-P energy: -106.089 bonds (distance) P-C4' energy: -91.807 flat angles C4'-P-C4' energy: -95.909 flat angles P-C4'-P energy: -40.448 tors. eta vs tors. theta energy: 30.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2138.078162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.078162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.078162 (E_RNA) where: Base-Base interactions energy: -1475.267 where: short stacking energy: -623.172 Base-Backbone interact. energy: -3.720 local terms energy: -659.091336 where: bonds (distance) C4'-P energy: -123.536 bonds (distance) P-C4' energy: -128.585 flat angles C4'-P-C4' energy: -128.511 flat angles P-C4'-P energy: -100.855 tors. eta vs tors. theta energy: -177.606 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: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2054.718397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.718397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.718397 (E_RNA) where: Base-Base interactions energy: -1398.571 where: short stacking energy: -573.962 Base-Backbone interact. energy: -3.232 local terms energy: -652.915169 where: bonds (distance) C4'-P energy: -130.122 bonds (distance) P-C4' energy: -115.510 flat angles C4'-P-C4' energy: -138.089 flat angles P-C4'-P energy: -88.146 tors. eta vs tors. theta energy: -181.049 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: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1911.371060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.371060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.371060 (E_RNA) where: Base-Base interactions energy: -1310.480 where: short stacking energy: -544.654 Base-Backbone interact. energy: -1.810 local terms energy: -599.081052 where: bonds (distance) C4'-P energy: -117.565 bonds (distance) P-C4' energy: -108.958 flat angles C4'-P-C4' energy: -131.247 flat angles P-C4'-P energy: -80.671 tors. eta vs tors. theta energy: -160.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1800.933490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.933490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.933490 (E_RNA) where: Base-Base interactions energy: -1210.965 where: short stacking energy: -494.031 Base-Backbone interact. energy: -2.507 local terms energy: -587.460986 where: bonds (distance) C4'-P energy: -120.755 bonds (distance) P-C4' energy: -116.717 flat angles C4'-P-C4' energy: -122.090 flat angles P-C4'-P energy: -85.683 tors. eta vs tors. theta energy: -142.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1673.627174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.627174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.627174 (E_RNA) where: Base-Base interactions energy: -1119.295 where: short stacking energy: -481.220 Base-Backbone interact. energy: -1.873 local terms energy: -552.458925 where: bonds (distance) C4'-P energy: -104.892 bonds (distance) P-C4' energy: -112.833 flat angles C4'-P-C4' energy: -124.099 flat angles P-C4'-P energy: -77.519 tors. eta vs tors. theta energy: -133.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1532.274452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.274452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.274452 (E_RNA) where: Base-Base interactions energy: -1029.135 where: short stacking energy: -442.537 Base-Backbone interact. energy: 2.875 local terms energy: -506.014302 where: bonds (distance) C4'-P energy: -109.145 bonds (distance) P-C4' energy: -102.026 flat angles C4'-P-C4' energy: -126.964 flat angles P-C4'-P energy: -56.420 tors. eta vs tors. theta energy: -111.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1198.492176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.492176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.492176 (E_RNA) where: Base-Base interactions energy: -734.204 where: short stacking energy: -309.202 Base-Backbone interact. energy: -1.555 local terms energy: -462.733544 where: bonds (distance) C4'-P energy: -110.359 bonds (distance) P-C4' energy: -108.861 flat angles C4'-P-C4' energy: -96.991 flat angles P-C4'-P energy: -91.663 tors. eta vs tors. theta energy: -54.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -897.985160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.985160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.985160 (E_RNA) where: Base-Base interactions energy: -521.162 where: short stacking energy: -249.493 Base-Backbone interact. energy: 0.739 local terms energy: -377.561822 where: bonds (distance) C4'-P energy: -107.962 bonds (distance) P-C4' energy: -89.893 flat angles C4'-P-C4' energy: -91.198 flat angles P-C4'-P energy: -58.667 tors. eta vs tors. theta energy: -29.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -634.656465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.656465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.656465 (E_RNA) where: Base-Base interactions energy: -261.608 where: short stacking energy: -173.511 Base-Backbone interact. energy: -3.396 local terms energy: -369.652100 where: bonds (distance) C4'-P energy: -102.092 bonds (distance) P-C4' energy: -106.144 flat angles C4'-P-C4' energy: -107.686 flat angles P-C4'-P energy: -60.897 tors. eta vs tors. theta energy: 7.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -513.778714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.778714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.778714 (E_RNA) where: Base-Base interactions energy: -172.874 where: short stacking energy: -117.373 Base-Backbone interact. energy: 2.845 local terms energy: -343.749297 where: bonds (distance) C4'-P energy: -107.695 bonds (distance) P-C4' energy: -123.960 flat angles C4'-P-C4' energy: -84.196 flat angles P-C4'-P energy: -54.324 tors. eta vs tors. theta energy: 26.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2141.269008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.269008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.269008 (E_RNA) where: Base-Base interactions energy: -1489.005 where: short stacking energy: -590.507 Base-Backbone interact. energy: -3.178 local terms energy: -649.085514 where: bonds (distance) C4'-P energy: -117.123 bonds (distance) P-C4' energy: -122.072 flat angles C4'-P-C4' energy: -133.202 flat angles P-C4'-P energy: -96.743 tors. eta vs tors. theta energy: -179.946 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: 2, replica: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2029.091675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.091675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.091675 (E_RNA) where: Base-Base interactions energy: -1390.659 where: short stacking energy: -579.596 Base-Backbone interact. energy: 0.235 local terms energy: -638.667360 where: bonds (distance) C4'-P energy: -117.721 bonds (distance) P-C4' energy: -118.218 flat angles C4'-P-C4' energy: -140.728 flat angles P-C4'-P energy: -82.764 tors. eta vs tors. theta energy: -179.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1927.810398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.810398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.810398 (E_RNA) where: Base-Base interactions energy: -1314.996 where: short stacking energy: -546.580 Base-Backbone interact. energy: -4.485 local terms energy: -608.329775 where: bonds (distance) C4'-P energy: -113.723 bonds (distance) P-C4' energy: -111.423 flat angles C4'-P-C4' energy: -131.323 flat angles P-C4'-P energy: -87.296 tors. eta vs tors. theta energy: -164.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1822.757234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.757234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.757234 (E_RNA) where: Base-Base interactions energy: -1238.548 where: short stacking energy: -500.458 Base-Backbone interact. energy: -2.079 local terms energy: -582.130761 where: bonds (distance) C4'-P energy: -116.371 bonds (distance) P-C4' energy: -111.402 flat angles C4'-P-C4' energy: -123.751 flat angles P-C4'-P energy: -85.693 tors. eta vs tors. theta energy: -144.914 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: 5 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1659.239326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.239326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.239326 (E_RNA) where: Base-Base interactions energy: -1128.933 where: short stacking energy: -463.049 Base-Backbone interact. energy: -3.257 local terms energy: -527.049052 where: bonds (distance) C4'-P energy: -103.164 bonds (distance) P-C4' energy: -107.543 flat angles C4'-P-C4' energy: -111.655 flat angles P-C4'-P energy: -73.300 tors. eta vs tors. theta energy: -131.387 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: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1523.153980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.153980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.153980 (E_RNA) where: Base-Base interactions energy: -978.872 where: short stacking energy: -436.189 Base-Backbone interact. energy: -0.368 local terms energy: -543.914707 where: bonds (distance) C4'-P energy: -110.254 bonds (distance) P-C4' energy: -106.240 flat angles C4'-P-C4' energy: -127.352 flat angles P-C4'-P energy: -76.563 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: 7, replica: 10 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1200.820318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.820318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.820318 (E_RNA) where: Base-Base interactions energy: -787.953 where: short stacking energy: -339.923 Base-Backbone interact. energy: 0.184 local terms energy: -413.051202 where: bonds (distance) C4'-P energy: -78.277 bonds (distance) P-C4' energy: -112.039 flat angles C4'-P-C4' energy: -92.015 flat angles P-C4'-P energy: -67.013 tors. eta vs tors. theta energy: -63.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -869.322859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.322859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.322859 (E_RNA) where: Base-Base interactions energy: -493.336 where: short stacking energy: -256.380 Base-Backbone interact. energy: 0.702 local terms energy: -376.688936 where: bonds (distance) C4'-P energy: -105.105 bonds (distance) P-C4' energy: -104.372 flat angles C4'-P-C4' energy: -80.898 flat angles P-C4'-P energy: -60.365 tors. eta vs tors. theta energy: -25.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -585.882369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.882369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.882369 (E_RNA) where: Base-Base interactions energy: -264.236 where: short stacking energy: -151.355 Base-Backbone interact. energy: 4.034 local terms energy: -325.680327 where: bonds (distance) C4'-P energy: -91.285 bonds (distance) P-C4' energy: -105.461 flat angles C4'-P-C4' energy: -82.148 flat angles P-C4'-P energy: -59.146 tors. eta vs tors. theta energy: 12.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -465.543803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.543803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.543803 (E_RNA) where: Base-Base interactions energy: -161.613 where: short stacking energy: -121.639 Base-Backbone interact. energy: -0.919 local terms energy: -303.011900 where: bonds (distance) C4'-P energy: -92.309 bonds (distance) P-C4' energy: -106.962 flat angles C4'-P-C4' energy: -80.617 flat angles P-C4'-P energy: -56.548 tors. eta vs tors. theta energy: 33.424 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: 1 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2130.827857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.827857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.827857 (E_RNA) where: Base-Base interactions energy: -1494.472 where: short stacking energy: -596.986 Base-Backbone interact. energy: 1.549 local terms energy: -637.905159 where: bonds (distance) C4'-P energy: -121.029 bonds (distance) P-C4' energy: -115.256 flat angles C4'-P-C4' energy: -139.607 flat angles P-C4'-P energy: -87.014 tors. eta vs tors. theta energy: -174.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2079.786154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.786154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.786154 (E_RNA) where: Base-Base interactions energy: -1430.931 where: short stacking energy: -594.733 Base-Backbone interact. energy: -2.664 local terms energy: -646.191675 where: bonds (distance) C4'-P energy: -113.827 bonds (distance) P-C4' energy: -113.267 flat angles C4'-P-C4' energy: -142.441 flat angles P-C4'-P energy: -88.822 tors. eta vs tors. theta energy: -187.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1942.399240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.399240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.399240 (E_RNA) where: Base-Base interactions energy: -1303.519 where: short stacking energy: -555.412 Base-Backbone interact. energy: -1.198 local terms energy: -637.681785 where: bonds (distance) C4'-P energy: -111.012 bonds (distance) P-C4' energy: -107.738 flat angles C4'-P-C4' energy: -144.987 flat angles P-C4'-P energy: -94.697 tors. eta vs tors. theta energy: -179.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1815.172543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.172543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.172543 (E_RNA) where: Base-Base interactions energy: -1240.838 where: short stacking energy: -508.114 Base-Backbone interact. energy: -0.671 local terms energy: -573.662935 where: bonds (distance) C4'-P energy: -92.836 bonds (distance) P-C4' energy: -106.593 flat angles C4'-P-C4' energy: -132.441 flat angles P-C4'-P energy: -83.681 tors. eta vs tors. theta energy: -158.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1706.754703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.754703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.754703 (E_RNA) where: Base-Base interactions energy: -1127.744 where: short stacking energy: -494.772 Base-Backbone interact. energy: -2.393 local terms energy: -576.617078 where: bonds (distance) C4'-P energy: -97.806 bonds (distance) P-C4' energy: -129.417 flat angles C4'-P-C4' energy: -123.982 flat angles P-C4'-P energy: -86.578 tors. eta vs tors. theta energy: -138.834 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: 2 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1528.551519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.551519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.551519 (E_RNA) where: Base-Base interactions energy: -1001.237 where: short stacking energy: -454.889 Base-Backbone interact. energy: -3.645 local terms energy: -523.669671 where: bonds (distance) C4'-P energy: -97.992 bonds (distance) P-C4' energy: -99.271 flat angles C4'-P-C4' energy: -114.756 flat angles P-C4'-P energy: -83.027 tors. eta vs tors. theta energy: -128.624 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: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1198.773567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.773567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.773567 (E_RNA) where: Base-Base interactions energy: -741.223 where: short stacking energy: -327.990 Base-Backbone interact. energy: -2.526 local terms energy: -455.025127 where: bonds (distance) C4'-P energy: -98.286 bonds (distance) P-C4' energy: -99.785 flat angles C4'-P-C4' energy: -115.796 flat angles P-C4'-P energy: -70.819 tors. eta vs tors. theta energy: -70.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -869.928464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.928464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.928464 (E_RNA) where: Base-Base interactions energy: -456.690 where: short stacking energy: -238.327 Base-Backbone interact. energy: -1.002 local terms energy: -412.237018 where: bonds (distance) C4'-P energy: -114.572 bonds (distance) P-C4' energy: -107.872 flat angles C4'-P-C4' energy: -98.483 flat angles P-C4'-P energy: -66.282 tors. eta vs tors. theta energy: -25.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -588.493078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.493078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.493078 (E_RNA) where: Base-Base interactions energy: -255.406 where: short stacking energy: -178.246 Base-Backbone interact. energy: -0.081 local terms energy: -333.006912 where: bonds (distance) C4'-P energy: -85.373 bonds (distance) P-C4' energy: -91.914 flat angles C4'-P-C4' energy: -95.427 flat angles P-C4'-P energy: -60.250 tors. eta vs tors. theta energy: -0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -477.916862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.916862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.916862 (E_RNA) where: Base-Base interactions energy: -140.167 where: short stacking energy: -119.258 Base-Backbone interact. energy: -3.638 local terms energy: -334.111962 where: bonds (distance) C4'-P energy: -93.597 bonds (distance) P-C4' energy: -104.063 flat angles C4'-P-C4' energy: -91.227 flat angles P-C4'-P energy: -71.019 tors. eta vs tors. theta energy: 25.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2180.305260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.305260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.305260 (E_RNA) where: Base-Base interactions energy: -1525.586 where: short stacking energy: -613.455 Base-Backbone interact. energy: -2.496 local terms energy: -652.223276 where: bonds (distance) C4'-P energy: -124.089 bonds (distance) P-C4' energy: -126.222 flat angles C4'-P-C4' energy: -141.446 flat angles P-C4'-P energy: -84.669 tors. eta vs tors. theta energy: -175.797 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: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2071.790285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.790285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.790285 (E_RNA) where: Base-Base interactions energy: -1404.896 where: short stacking energy: -609.004 Base-Backbone interact. energy: -1.917 local terms energy: -664.977084 where: bonds (distance) C4'-P energy: -121.129 bonds (distance) P-C4' energy: -119.670 flat angles C4'-P-C4' energy: -140.816 flat angles P-C4'-P energy: -92.044 tors. eta vs tors. theta energy: -191.317 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: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1934.631223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.631223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.631223 (E_RNA) where: Base-Base interactions energy: -1304.538 where: short stacking energy: -545.749 Base-Backbone interact. energy: -2.119 local terms energy: -627.974208 where: bonds (distance) C4'-P energy: -113.638 bonds (distance) P-C4' energy: -119.934 flat angles C4'-P-C4' energy: -134.783 flat angles P-C4'-P energy: -97.344 tors. eta vs tors. theta energy: -162.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1801.513090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.513090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.513090 (E_RNA) where: Base-Base interactions energy: -1233.612 where: short stacking energy: -479.089 Base-Backbone interact. energy: -3.994 local terms energy: -563.907450 where: bonds (distance) C4'-P energy: -104.906 bonds (distance) P-C4' energy: -113.289 flat angles C4'-P-C4' energy: -121.982 flat angles P-C4'-P energy: -92.426 tors. eta vs tors. theta energy: -131.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1713.332049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.332049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.332049 (E_RNA) where: Base-Base interactions energy: -1131.883 where: short stacking energy: -485.782 Base-Backbone interact. energy: -1.935 local terms energy: -579.513921 where: bonds (distance) C4'-P energy: -124.596 bonds (distance) P-C4' energy: -108.336 flat angles C4'-P-C4' energy: -123.519 flat angles P-C4'-P energy: -83.622 tors. eta vs tors. theta energy: -139.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1558.610384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.610384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.610384 (E_RNA) where: Base-Base interactions energy: -1029.332 where: short stacking energy: -457.571 Base-Backbone interact. energy: -1.568 local terms energy: -527.710057 where: bonds (distance) C4'-P energy: -96.797 bonds (distance) P-C4' energy: -103.211 flat angles C4'-P-C4' energy: -113.190 flat angles P-C4'-P energy: -78.200 tors. eta vs tors. theta energy: -136.312 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: 10 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1186.529816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.529816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.529816 (E_RNA) where: Base-Base interactions energy: -750.145 where: short stacking energy: -302.627 Base-Backbone interact. energy: 0.564 local terms energy: -436.949006 where: bonds (distance) C4'-P energy: -104.529 bonds (distance) P-C4' energy: -118.002 flat angles C4'-P-C4' energy: -97.815 flat angles P-C4'-P energy: -56.460 tors. eta vs tors. theta energy: -60.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -871.748730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.748730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.748730 (E_RNA) where: Base-Base interactions energy: -498.243 where: short stacking energy: -250.428 Base-Backbone interact. energy: 0.122 local terms energy: -373.627272 where: bonds (distance) C4'-P energy: -100.027 bonds (distance) P-C4' energy: -93.384 flat angles C4'-P-C4' energy: -94.276 flat angles P-C4'-P energy: -54.175 tors. eta vs tors. theta energy: -31.765 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: 9, replica: 8 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -602.391351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.391351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.391351 (E_RNA) where: Base-Base interactions energy: -267.282 where: short stacking energy: -161.787 Base-Backbone interact. energy: 1.296 local terms energy: -336.405328 where: bonds (distance) C4'-P energy: -98.378 bonds (distance) P-C4' energy: -103.372 flat angles C4'-P-C4' energy: -95.769 flat angles P-C4'-P energy: -61.182 tors. eta vs tors. theta energy: 22.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -485.053960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.053960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.053960 (E_RNA) where: Base-Base interactions energy: -183.630 where: short stacking energy: -112.399 Base-Backbone interact. energy: -2.686 local terms energy: -298.737347 where: bonds (distance) C4'-P energy: -93.861 bonds (distance) P-C4' energy: -96.651 flat angles C4'-P-C4' energy: -72.000 flat angles P-C4'-P energy: -55.778 tors. eta vs tors. theta energy: 19.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2189.341978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.341978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.341978 (E_RNA) where: Base-Base interactions energy: -1527.063 where: short stacking energy: -609.855 Base-Backbone interact. energy: 1.649 local terms energy: -663.927680 where: bonds (distance) C4'-P energy: -128.433 bonds (distance) P-C4' energy: -123.923 flat angles C4'-P-C4' energy: -139.797 flat angles P-C4'-P energy: -90.894 tors. eta vs tors. theta energy: -180.881 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: 2, replica: 7 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2031.964920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.964920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.964920 (E_RNA) where: Base-Base interactions energy: -1383.430 where: short stacking energy: -570.768 Base-Backbone interact. energy: -2.097 local terms energy: -646.437371 where: bonds (distance) C4'-P energy: -127.795 bonds (distance) P-C4' energy: -111.182 flat angles C4'-P-C4' energy: -138.140 flat angles P-C4'-P energy: -93.196 tors. eta vs tors. theta energy: -176.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1921.785558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.785558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.785558 (E_RNA) where: Base-Base interactions energy: -1314.905 where: short stacking energy: -540.141 Base-Backbone interact. energy: -2.206 local terms energy: -604.675094 where: bonds (distance) C4'-P energy: -117.577 bonds (distance) P-C4' energy: -117.216 flat angles C4'-P-C4' energy: -129.352 flat angles P-C4'-P energy: -72.661 tors. eta vs tors. theta energy: -167.870 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: 3 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1807.879638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.879638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.879638 (E_RNA) where: Base-Base interactions energy: -1232.621 where: short stacking energy: -485.335 Base-Backbone interact. energy: 1.723 local terms energy: -576.982274 where: bonds (distance) C4'-P energy: -100.162 bonds (distance) P-C4' energy: -122.962 flat angles C4'-P-C4' energy: -122.261 flat angles P-C4'-P energy: -85.346 tors. eta vs tors. theta energy: -146.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1795.799142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.799142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.799142 (E_RNA) where: Base-Base interactions energy: -1222.544 where: short stacking energy: -532.654 Base-Backbone interact. energy: 1.219 local terms energy: -574.474703 where: bonds (distance) C4'-P energy: -111.188 bonds (distance) P-C4' energy: -118.683 flat angles C4'-P-C4' energy: -103.826 flat angles P-C4'-P energy: -80.154 tors. eta vs tors. theta energy: -160.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1545.888693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.888693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.888693 (E_RNA) where: Base-Base interactions energy: -1023.739 where: short stacking energy: -445.278 Base-Backbone interact. energy: -1.627 local terms energy: -520.523021 where: bonds (distance) C4'-P energy: -105.535 bonds (distance) P-C4' energy: -112.230 flat angles C4'-P-C4' energy: -109.248 flat angles P-C4'-P energy: -68.309 tors. eta vs tors. theta energy: -125.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1192.862490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.862490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.862490 (E_RNA) where: Base-Base interactions energy: -745.615 where: short stacking energy: -336.617 Base-Backbone interact. energy: -1.196 local terms energy: -446.051062 where: bonds (distance) C4'-P energy: -105.242 bonds (distance) P-C4' energy: -107.183 flat angles C4'-P-C4' energy: -103.153 flat angles P-C4'-P energy: -73.428 tors. eta vs tors. theta energy: -57.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -867.584435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.584435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.584435 (E_RNA) where: Base-Base interactions energy: -490.429 where: short stacking energy: -233.417 Base-Backbone interact. energy: 2.412 local terms energy: -379.566922 where: bonds (distance) C4'-P energy: -111.180 bonds (distance) P-C4' energy: -106.238 flat angles C4'-P-C4' energy: -92.467 flat angles P-C4'-P energy: -43.908 tors. eta vs tors. theta energy: -25.774 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: 8 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -602.622602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.622602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.622602 (E_RNA) where: Base-Base interactions energy: -262.806 where: short stacking energy: -176.476 Base-Backbone interact. energy: -0.091 local terms energy: -339.725141 where: bonds (distance) C4'-P energy: -104.860 bonds (distance) P-C4' energy: -98.157 flat angles C4'-P-C4' energy: -96.493 flat angles P-C4'-P energy: -52.193 tors. eta vs tors. theta energy: 11.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -495.270210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.270210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.270210 (E_RNA) where: Base-Base interactions energy: -204.856 where: short stacking energy: -120.926 Base-Backbone interact. energy: -3.411 local terms energy: -287.002326 where: bonds (distance) C4'-P energy: -108.528 bonds (distance) P-C4' energy: -98.568 flat angles C4'-P-C4' energy: -72.802 flat angles P-C4'-P energy: -32.458 tors. eta vs tors. theta energy: 25.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2164.611926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.611926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.611926 (E_RNA) where: Base-Base interactions energy: -1522.921 where: short stacking energy: -613.754 Base-Backbone interact. energy: -0.348 local terms energy: -641.342843 where: bonds (distance) C4'-P energy: -116.186 bonds (distance) P-C4' energy: -120.663 flat angles C4'-P-C4' energy: -135.676 flat angles P-C4'-P energy: -88.745 tors. eta vs tors. theta energy: -180.073 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: 7 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2063.378370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.378370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.378370 (E_RNA) where: Base-Base interactions energy: -1405.180 where: short stacking energy: -572.943 Base-Backbone interact. energy: -1.725 local terms energy: -656.473809 where: bonds (distance) C4'-P energy: -120.240 bonds (distance) P-C4' energy: -121.627 flat angles C4'-P-C4' energy: -138.349 flat angles P-C4'-P energy: -96.904 tors. eta vs tors. theta energy: -179.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1893.008187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.008187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.008187 (E_RNA) where: Base-Base interactions energy: -1305.617 where: short stacking energy: -521.302 Base-Backbone interact. energy: -3.957 local terms energy: -583.433883 where: bonds (distance) C4'-P energy: -105.566 bonds (distance) P-C4' energy: -112.432 flat angles C4'-P-C4' energy: -130.230 flat angles P-C4'-P energy: -73.373 tors. eta vs tors. theta energy: -161.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1792.003720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.003720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.003720 (E_RNA) where: Base-Base interactions energy: -1215.609 where: short stacking energy: -498.716 Base-Backbone interact. energy: 2.664 local terms energy: -579.058189 where: bonds (distance) C4'-P energy: -100.261 bonds (distance) P-C4' energy: -118.113 flat angles C4'-P-C4' energy: -134.249 flat angles P-C4'-P energy: -87.677 tors. eta vs tors. theta energy: -138.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1721.559772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.559772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.559772 (E_RNA) where: Base-Base interactions energy: -1191.427 where: short stacking energy: -518.553 Base-Backbone interact. energy: 1.684 local terms energy: -531.816886 where: bonds (distance) C4'-P energy: -110.064 bonds (distance) P-C4' energy: -92.998 flat angles C4'-P-C4' energy: -120.607 flat angles P-C4'-P energy: -69.481 tors. eta vs tors. theta energy: -138.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1496.717877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.717877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.717877 (E_RNA) where: Base-Base interactions energy: -984.694 where: short stacking energy: -447.961 Base-Backbone interact. energy: -1.444 local terms energy: -510.580320 where: bonds (distance) C4'-P energy: -115.902 bonds (distance) P-C4' energy: -97.666 flat angles C4'-P-C4' energy: -109.598 flat angles P-C4'-P energy: -64.134 tors. eta vs tors. theta energy: -123.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1182.139095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.139095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.139095 (E_RNA) where: Base-Base interactions energy: -733.236 where: short stacking energy: -331.656 Base-Backbone interact. energy: 5.025 local terms energy: -453.927822 where: bonds (distance) C4'-P energy: -102.474 bonds (distance) P-C4' energy: -113.998 flat angles C4'-P-C4' energy: -106.426 flat angles P-C4'-P energy: -57.273 tors. eta vs tors. theta energy: -73.758 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: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -866.754977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.754977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.754977 (E_RNA) where: Base-Base interactions energy: -496.145 where: short stacking energy: -254.474 Base-Backbone interact. energy: 0.417 local terms energy: -371.026529 where: bonds (distance) C4'-P energy: -104.788 bonds (distance) P-C4' energy: -104.560 flat angles C4'-P-C4' energy: -69.629 flat angles P-C4'-P energy: -59.901 tors. eta vs tors. theta energy: -32.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -642.412979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.412979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.412979 (E_RNA) where: Base-Base interactions energy: -316.223 where: short stacking energy: -200.321 Base-Backbone interact. energy: 0.889 local terms energy: -327.079035 where: bonds (distance) C4'-P energy: -95.579 bonds (distance) P-C4' energy: -95.209 flat angles C4'-P-C4' energy: -93.548 flat angles P-C4'-P energy: -34.176 tors. eta vs tors. theta energy: -8.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -486.400619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.400619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.400619 (E_RNA) where: Base-Base interactions energy: -182.154 where: short stacking energy: -122.465 Base-Backbone interact. energy: -4.021 local terms energy: -300.226444 where: bonds (distance) C4'-P energy: -90.102 bonds (distance) P-C4' energy: -103.932 flat angles C4'-P-C4' energy: -72.782 flat angles P-C4'-P energy: -54.513 tors. eta vs tors. theta energy: 21.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2190.964899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.964899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.964899 (E_RNA) where: Base-Base interactions energy: -1552.703 where: short stacking energy: -628.601 Base-Backbone interact. energy: -2.714 local terms energy: -635.548283 where: bonds (distance) C4'-P energy: -114.890 bonds (distance) P-C4' energy: -113.272 flat angles C4'-P-C4' energy: -131.857 flat angles P-C4'-P energy: -85.604 tors. eta vs tors. theta energy: -189.925 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: 7 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2081.141991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.141991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.141991 (E_RNA) where: Base-Base interactions energy: -1439.062 where: short stacking energy: -606.514 Base-Backbone interact. energy: -0.822 local terms energy: -641.257219 where: bonds (distance) C4'-P energy: -118.669 bonds (distance) P-C4' energy: -127.834 flat angles C4'-P-C4' energy: -124.157 flat angles P-C4'-P energy: -93.463 tors. eta vs tors. theta energy: -177.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1939.626307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.626307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.626307 (E_RNA) where: Base-Base interactions energy: -1302.020 where: short stacking energy: -552.193 Base-Backbone interact. energy: -4.577 local terms energy: -633.029308 where: bonds (distance) C4'-P energy: -116.929 bonds (distance) P-C4' energy: -124.621 flat angles C4'-P-C4' energy: -141.957 flat angles P-C4'-P energy: -81.772 tors. eta vs tors. theta energy: -167.749 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: 4, replica: 3 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1823.234952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.234952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.234952 (E_RNA) where: Base-Base interactions energy: -1251.266 where: short stacking energy: -509.968 Base-Backbone interact. energy: -4.502 local terms energy: -567.467498 where: bonds (distance) C4'-P energy: -98.607 bonds (distance) P-C4' energy: -111.032 flat angles C4'-P-C4' energy: -124.987 flat angles P-C4'-P energy: -84.542 tors. eta vs tors. theta energy: -148.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1748.606843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.606843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.606843 (E_RNA) where: Base-Base interactions energy: -1161.899 where: short stacking energy: -523.159 Base-Backbone interact. energy: -2.662 local terms energy: -584.046003 where: bonds (distance) C4'-P energy: -98.143 bonds (distance) P-C4' energy: -120.583 flat angles C4'-P-C4' energy: -139.249 flat angles P-C4'-P energy: -81.800 tors. eta vs tors. theta energy: -144.270 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: 6, replica: 2 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1523.806245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.806245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.806245 (E_RNA) where: Base-Base interactions energy: -1004.968 where: short stacking energy: -445.667 Base-Backbone interact. energy: -0.227 local terms energy: -518.611414 where: bonds (distance) C4'-P energy: -98.180 bonds (distance) P-C4' energy: -101.094 flat angles C4'-P-C4' energy: -128.597 flat angles P-C4'-P energy: -60.743 tors. eta vs tors. theta energy: -129.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1195.272179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.272179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.272179 (E_RNA) where: Base-Base interactions energy: -756.197 where: short stacking energy: -362.106 Base-Backbone interact. energy: -2.875 local terms energy: -436.200484 where: bonds (distance) C4'-P energy: -96.007 bonds (distance) P-C4' energy: -109.590 flat angles C4'-P-C4' energy: -109.846 flat angles P-C4'-P energy: -61.955 tors. eta vs tors. theta energy: -58.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -872.042992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.042992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.042992 (E_RNA) where: Base-Base interactions energy: -457.741 where: short stacking energy: -231.564 Base-Backbone interact. energy: -2.296 local terms energy: -412.006670 where: bonds (distance) C4'-P energy: -118.966 bonds (distance) P-C4' energy: -95.674 flat angles C4'-P-C4' energy: -85.390 flat angles P-C4'-P energy: -75.188 tors. eta vs tors. theta energy: -36.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -620.859835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.859835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.859835 (E_RNA) where: Base-Base interactions energy: -284.182 where: short stacking energy: -196.359 Base-Backbone interact. energy: 5.073 local terms energy: -341.750418 where: bonds (distance) C4'-P energy: -96.205 bonds (distance) P-C4' energy: -106.493 flat angles C4'-P-C4' energy: -89.958 flat angles P-C4'-P energy: -57.936 tors. eta vs tors. theta energy: 8.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -441.715937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.715937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.715937 (E_RNA) where: Base-Base interactions energy: -144.059 where: short stacking energy: -88.812 Base-Backbone interact. energy: 2.496 local terms energy: -300.153285 where: bonds (distance) C4'-P energy: -106.216 bonds (distance) P-C4' energy: -113.663 flat angles C4'-P-C4' energy: -71.275 flat angles P-C4'-P energy: -54.711 tors. eta vs tors. theta energy: 45.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2205.440500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.440500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.440500 (E_RNA) where: Base-Base interactions energy: -1524.633 where: short stacking energy: -619.791 Base-Backbone interact. energy: 0.998 local terms energy: -681.805629 where: bonds (distance) C4'-P energy: -125.459 bonds (distance) P-C4' energy: -122.025 flat angles C4'-P-C4' energy: -147.864 flat angles P-C4'-P energy: -97.017 tors. eta vs tors. theta energy: -189.440 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: 7 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2062.037830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.037830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.037830 (E_RNA) where: Base-Base interactions energy: -1444.936 where: short stacking energy: -588.311 Base-Backbone interact. energy: -3.163 local terms energy: -613.939547 where: bonds (distance) C4'-P energy: -119.379 bonds (distance) P-C4' energy: -116.049 flat angles C4'-P-C4' energy: -130.980 flat angles P-C4'-P energy: -80.046 tors. eta vs tors. theta energy: -167.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1895.748228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.748228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.748228 (E_RNA) where: Base-Base interactions energy: -1275.976 where: short stacking energy: -534.554 Base-Backbone interact. energy: -2.920 local terms energy: -616.852931 where: bonds (distance) C4'-P energy: -122.851 bonds (distance) P-C4' energy: -126.382 flat angles C4'-P-C4' energy: -120.222 flat angles P-C4'-P energy: -85.580 tors. eta vs tors. theta energy: -161.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1832.164189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.164189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.164189 (E_RNA) where: Base-Base interactions energy: -1246.166 where: short stacking energy: -504.913 Base-Backbone interact. energy: -2.871 local terms energy: -583.127320 where: bonds (distance) C4'-P energy: -107.251 bonds (distance) P-C4' energy: -122.806 flat angles C4'-P-C4' energy: -129.382 flat angles P-C4'-P energy: -75.794 tors. eta vs tors. theta energy: -147.894 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: 5 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1778.484828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.484828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.484828 (E_RNA) where: Base-Base interactions energy: -1199.828 where: short stacking energy: -510.681 Base-Backbone interact. energy: -1.266 local terms energy: -577.391291 where: bonds (distance) C4'-P energy: -118.260 bonds (distance) P-C4' energy: -124.348 flat angles C4'-P-C4' energy: -128.192 flat angles P-C4'-P energy: -63.857 tors. eta vs tors. theta energy: -142.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1540.773180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.773180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.773180 (E_RNA) where: Base-Base interactions energy: -1003.936 where: short stacking energy: -450.240 Base-Backbone interact. energy: -2.951 local terms energy: -533.886097 where: bonds (distance) C4'-P energy: -113.268 bonds (distance) P-C4' energy: -100.604 flat angles C4'-P-C4' energy: -108.455 flat angles P-C4'-P energy: -78.085 tors. eta vs tors. theta energy: -133.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1219.446660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.446660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.446660 (E_RNA) where: Base-Base interactions energy: -751.702 where: short stacking energy: -346.230 Base-Backbone interact. energy: -1.038 local terms energy: -466.706512 where: bonds (distance) C4'-P energy: -103.031 bonds (distance) P-C4' energy: -106.889 flat angles C4'-P-C4' energy: -106.747 flat angles P-C4'-P energy: -72.169 tors. eta vs tors. theta energy: -77.870 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: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -922.657033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.657033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.657033 (E_RNA) where: Base-Base interactions energy: -536.982 where: short stacking energy: -261.768 Base-Backbone interact. energy: -1.362 local terms energy: -384.313677 where: bonds (distance) C4'-P energy: -96.064 bonds (distance) P-C4' energy: -101.871 flat angles C4'-P-C4' energy: -106.779 flat angles P-C4'-P energy: -54.082 tors. eta vs tors. theta energy: -25.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -649.307028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.307028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.307028 (E_RNA) where: Base-Base interactions energy: -299.384 where: short stacking energy: -207.473 Base-Backbone interact. energy: -0.121 local terms energy: -349.801895 where: bonds (distance) C4'-P energy: -97.147 bonds (distance) P-C4' energy: -104.983 flat angles C4'-P-C4' energy: -107.957 flat angles P-C4'-P energy: -38.530 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: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -487.985529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.985529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.985529 (E_RNA) where: Base-Base interactions energy: -173.629 where: short stacking energy: -124.614 Base-Backbone interact. energy: -0.943 local terms energy: -313.413235 where: bonds (distance) C4'-P energy: -87.089 bonds (distance) P-C4' energy: -104.096 flat angles C4'-P-C4' energy: -88.071 flat angles P-C4'-P energy: -63.155 tors. eta vs tors. theta energy: 28.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2159.916867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.916867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.916867 (E_RNA) where: Base-Base interactions energy: -1486.505 where: short stacking energy: -624.045 Base-Backbone interact. energy: -2.084 local terms energy: -671.328059 where: bonds (distance) C4'-P energy: -125.711 bonds (distance) P-C4' energy: -133.022 flat angles C4'-P-C4' energy: -139.844 flat angles P-C4'-P energy: -96.909 tors. eta vs tors. theta energy: -175.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2062.087578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.087578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.087578 (E_RNA) where: Base-Base interactions energy: -1433.575 where: short stacking energy: -585.948 Base-Backbone interact. energy: -1.774 local terms energy: -626.738123 where: bonds (distance) C4'-P energy: -116.780 bonds (distance) P-C4' energy: -114.282 flat angles C4'-P-C4' energy: -127.957 flat angles P-C4'-P energy: -95.320 tors. eta vs tors. theta energy: -172.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1916.545233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.545233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.545233 (E_RNA) where: Base-Base interactions energy: -1295.326 where: short stacking energy: -511.861 Base-Backbone interact. energy: -5.220 local terms energy: -615.998714 where: bonds (distance) C4'-P energy: -108.204 bonds (distance) P-C4' energy: -113.471 flat angles C4'-P-C4' energy: -134.229 flat angles P-C4'-P energy: -93.436 tors. eta vs tors. theta energy: -166.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1811.308696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.308696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.308696 (E_RNA) where: Base-Base interactions energy: -1223.073 where: short stacking energy: -518.169 Base-Backbone interact. energy: -2.740 local terms energy: -585.495662 where: bonds (distance) C4'-P energy: -114.097 bonds (distance) P-C4' energy: -110.456 flat angles C4'-P-C4' energy: -127.477 flat angles P-C4'-P energy: -86.690 tors. eta vs tors. theta energy: -146.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1796.167747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.167747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.167747 (E_RNA) where: Base-Base interactions energy: -1221.072 where: short stacking energy: -522.680 Base-Backbone interact. energy: 0.296 local terms energy: -575.391812 where: bonds (distance) C4'-P energy: -101.908 bonds (distance) P-C4' energy: -106.984 flat angles C4'-P-C4' energy: -134.254 flat angles P-C4'-P energy: -72.852 tors. eta vs tors. theta energy: -159.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1535.966422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.966422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.966422 (E_RNA) where: Base-Base interactions energy: -1023.113 where: short stacking energy: -461.463 Base-Backbone interact. energy: -1.223 local terms energy: -511.630953 where: bonds (distance) C4'-P energy: -104.181 bonds (distance) P-C4' energy: -98.846 flat angles C4'-P-C4' energy: -109.285 flat angles P-C4'-P energy: -61.979 tors. eta vs tors. theta energy: -137.340 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: 7, replica: 10 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1179.534271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.534271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.534271 (E_RNA) where: Base-Base interactions energy: -764.299 where: short stacking energy: -342.483 Base-Backbone interact. energy: 1.825 local terms energy: -417.060289 where: bonds (distance) C4'-P energy: -96.148 bonds (distance) P-C4' energy: -100.111 flat angles C4'-P-C4' energy: -95.259 flat angles P-C4'-P energy: -58.171 tors. eta vs tors. theta energy: -67.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -915.062651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.062651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.062651 (E_RNA) where: Base-Base interactions energy: -517.744 where: short stacking energy: -266.502 Base-Backbone interact. energy: 3.064 local terms energy: -400.383332 where: bonds (distance) C4'-P energy: -88.629 bonds (distance) P-C4' energy: -111.445 flat angles C4'-P-C4' energy: -94.971 flat angles P-C4'-P energy: -58.266 tors. eta vs tors. theta energy: -47.074 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: 9, replica: 8 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -637.513557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.513557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.513557 (E_RNA) where: Base-Base interactions energy: -292.784 where: short stacking energy: -167.895 Base-Backbone interact. energy: -3.533 local terms energy: -341.196188 where: bonds (distance) C4'-P energy: -104.474 bonds (distance) P-C4' energy: -92.815 flat angles C4'-P-C4' energy: -97.154 flat angles P-C4'-P energy: -58.673 tors. eta vs tors. theta energy: 11.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -460.628689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.628689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.628689 (E_RNA) where: Base-Base interactions energy: -145.477 where: short stacking energy: -130.944 Base-Backbone interact. energy: 2.847 local terms energy: -317.999328 where: bonds (distance) C4'-P energy: -110.281 bonds (distance) P-C4' energy: -98.051 flat angles C4'-P-C4' energy: -83.091 flat angles P-C4'-P energy: -42.204 tors. eta vs tors. theta energy: 15.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2189.601156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.601156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.601156 (E_RNA) where: Base-Base interactions energy: -1515.779 where: short stacking energy: -620.244 Base-Backbone interact. energy: -0.336 local terms energy: -673.485517 where: bonds (distance) C4'-P energy: -130.694 bonds (distance) P-C4' energy: -122.558 flat angles C4'-P-C4' energy: -139.413 flat angles P-C4'-P energy: -93.243 tors. eta vs tors. theta energy: -187.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2068.382355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.382355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.382355 (E_RNA) where: Base-Base interactions energy: -1416.955 where: short stacking energy: -557.846 Base-Backbone interact. energy: -3.012 local terms energy: -648.415292 where: bonds (distance) C4'-P energy: -128.118 bonds (distance) P-C4' energy: -120.237 flat angles C4'-P-C4' energy: -135.113 flat angles P-C4'-P energy: -90.158 tors. eta vs tors. theta energy: -174.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1928.988404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.988404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.988404 (E_RNA) where: Base-Base interactions energy: -1310.293 where: short stacking energy: -566.266 Base-Backbone interact. energy: -1.860 local terms energy: -616.835468 where: bonds (distance) C4'-P energy: -110.017 bonds (distance) P-C4' energy: -113.204 flat angles C4'-P-C4' energy: -135.511 flat angles P-C4'-P energy: -89.496 tors. eta vs tors. theta energy: -168.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1812.043975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.043975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.043975 (E_RNA) where: Base-Base interactions energy: -1215.624 where: short stacking energy: -486.144 Base-Backbone interact. energy: 0.673 local terms energy: -597.093483 where: bonds (distance) C4'-P energy: -104.183 bonds (distance) P-C4' energy: -130.368 flat angles C4'-P-C4' energy: -126.741 flat angles P-C4'-P energy: -89.941 tors. eta vs tors. theta energy: -145.860 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: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1749.853144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.853144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.853144 (E_RNA) where: Base-Base interactions energy: -1156.751 where: short stacking energy: -477.310 Base-Backbone interact. energy: -3.330 local terms energy: -589.771577 where: bonds (distance) C4'-P energy: -117.453 bonds (distance) P-C4' energy: -124.515 flat angles C4'-P-C4' energy: -127.000 flat angles P-C4'-P energy: -78.016 tors. eta vs tors. theta energy: -142.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1526.980585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.980585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.980585 (E_RNA) where: Base-Base interactions energy: -968.097 where: short stacking energy: -468.522 Base-Backbone interact. energy: -1.349 local terms energy: -557.534232 where: bonds (distance) C4'-P energy: -91.349 bonds (distance) P-C4' energy: -113.139 flat angles C4'-P-C4' energy: -127.992 flat angles P-C4'-P energy: -86.753 tors. eta vs tors. theta energy: -138.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1144.426776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.426776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.426776 (E_RNA) where: Base-Base interactions energy: -719.802 where: short stacking energy: -333.031 Base-Backbone interact. energy: 0.883 local terms energy: -425.507528 where: bonds (distance) C4'-P energy: -99.048 bonds (distance) P-C4' energy: -106.247 flat angles C4'-P-C4' energy: -95.292 flat angles P-C4'-P energy: -72.170 tors. eta vs tors. theta energy: -52.750 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: 6 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -928.032387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.032387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.032387 (E_RNA) where: Base-Base interactions energy: -519.118 where: short stacking energy: -226.592 Base-Backbone interact. energy: -0.926 local terms energy: -407.987829 where: bonds (distance) C4'-P energy: -105.047 bonds (distance) P-C4' energy: -107.488 flat angles C4'-P-C4' energy: -114.453 flat angles P-C4'-P energy: -48.962 tors. eta vs tors. theta energy: -32.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -606.448502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.448502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.448502 (E_RNA) where: Base-Base interactions energy: -279.186 where: short stacking energy: -159.748 Base-Backbone interact. energy: -2.121 local terms energy: -325.141536 where: bonds (distance) C4'-P energy: -110.221 bonds (distance) P-C4' energy: -98.826 flat angles C4'-P-C4' energy: -78.941 flat angles P-C4'-P energy: -42.224 tors. eta vs tors. theta energy: 5.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -476.180244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.180244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.180244 (E_RNA) where: Base-Base interactions energy: -151.954 where: short stacking energy: -126.401 Base-Backbone interact. energy: 3.217 local terms energy: -327.443461 where: bonds (distance) C4'-P energy: -120.107 bonds (distance) P-C4' energy: -94.495 flat angles C4'-P-C4' energy: -72.894 flat angles P-C4'-P energy: -53.021 tors. eta vs tors. theta energy: 13.073 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: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2180.525435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.525435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.525435 (E_RNA) where: Base-Base interactions energy: -1523.468 where: short stacking energy: -606.987 Base-Backbone interact. energy: -3.683 local terms energy: -653.374069 where: bonds (distance) C4'-P energy: -124.599 bonds (distance) P-C4' energy: -121.653 flat angles C4'-P-C4' energy: -140.972 flat angles P-C4'-P energy: -82.843 tors. eta vs tors. theta energy: -183.307 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: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2064.328424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.328424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.328424 (E_RNA) where: Base-Base interactions energy: -1440.808 where: short stacking energy: -580.486 Base-Backbone interact. energy: -2.423 local terms energy: -621.097487 where: bonds (distance) C4'-P energy: -125.256 bonds (distance) P-C4' energy: -104.630 flat angles C4'-P-C4' energy: -131.795 flat angles P-C4'-P energy: -86.496 tors. eta vs tors. theta energy: -172.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1955.320728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.320728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.320728 (E_RNA) where: Base-Base interactions energy: -1327.455 where: short stacking energy: -571.773 Base-Backbone interact. energy: -2.724 local terms energy: -625.142078 where: bonds (distance) C4'-P energy: -104.090 bonds (distance) P-C4' energy: -112.741 flat angles C4'-P-C4' energy: -133.591 flat angles P-C4'-P energy: -94.914 tors. eta vs tors. theta energy: -179.806 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: 5 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1816.714362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.714362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.714362 (E_RNA) where: Base-Base interactions energy: -1211.745 where: short stacking energy: -498.616 Base-Backbone interact. energy: -2.165 local terms energy: -602.803611 where: bonds (distance) C4'-P energy: -113.943 bonds (distance) P-C4' energy: -125.419 flat angles C4'-P-C4' energy: -132.323 flat angles P-C4'-P energy: -74.107 tors. eta vs tors. theta energy: -157.011 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: 315 Temperature: 1.100000 Total energy: -1745.076181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.076181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.076181 (E_RNA) where: Base-Base interactions energy: -1219.640 where: short stacking energy: -505.609 Base-Backbone interact. energy: -4.220 local terms energy: -521.216313 where: bonds (distance) C4'-P energy: -105.505 bonds (distance) P-C4' energy: -85.342 flat angles C4'-P-C4' energy: -115.801 flat angles P-C4'-P energy: -72.676 tors. eta vs tors. theta energy: -141.893 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: 2 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1556.128146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.128146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.128146 (E_RNA) where: Base-Base interactions energy: -993.215 where: short stacking energy: -461.578 Base-Backbone interact. energy: -1.480 local terms energy: -561.433124 where: bonds (distance) C4'-P energy: -114.413 bonds (distance) P-C4' energy: -121.453 flat angles C4'-P-C4' energy: -113.666 flat angles P-C4'-P energy: -75.595 tors. eta vs tors. theta energy: -136.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1131.709795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.709795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.709795 (E_RNA) where: Base-Base interactions energy: -717.756 where: short stacking energy: -316.982 Base-Backbone interact. energy: 2.684 local terms energy: -416.637680 where: bonds (distance) C4'-P energy: -98.382 bonds (distance) P-C4' energy: -109.992 flat angles C4'-P-C4' energy: -93.614 flat angles P-C4'-P energy: -50.341 tors. eta vs tors. theta energy: -64.308 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: 6 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -959.390135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.390135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.390135 (E_RNA) where: Base-Base interactions energy: -531.213 where: short stacking energy: -254.584 Base-Backbone interact. energy: -2.504 local terms energy: -425.672795 where: bonds (distance) C4'-P energy: -112.100 bonds (distance) P-C4' energy: -115.833 flat angles C4'-P-C4' energy: -105.801 flat angles P-C4'-P energy: -67.701 tors. eta vs tors. theta energy: -24.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -604.209345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.209345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.209345 (E_RNA) where: Base-Base interactions energy: -259.409 where: short stacking energy: -167.317 Base-Backbone interact. energy: 1.257 local terms energy: -346.057831 where: bonds (distance) C4'-P energy: -107.157 bonds (distance) P-C4' energy: -114.277 flat angles C4'-P-C4' energy: -84.008 flat angles P-C4'-P energy: -52.839 tors. eta vs tors. theta energy: 12.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -479.949690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.949690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.949690 (E_RNA) where: Base-Base interactions energy: -143.219 where: short stacking energy: -111.995 Base-Backbone interact. energy: -0.337 local terms energy: -336.393194 where: bonds (distance) C4'-P energy: -92.867 bonds (distance) P-C4' energy: -120.328 flat angles C4'-P-C4' energy: -89.963 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: 14.130 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: 1, replica: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2181.698981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.698981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.698981 (E_RNA) where: Base-Base interactions energy: -1527.468 where: short stacking energy: -619.622 Base-Backbone interact. energy: -1.409 local terms energy: -652.821791 where: bonds (distance) C4'-P energy: -119.985 bonds (distance) P-C4' energy: -121.576 flat angles C4'-P-C4' energy: -141.294 flat angles P-C4'-P energy: -86.951 tors. eta vs tors. theta energy: -183.015 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: 2, replica: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2048.571757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.571757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.571757 (E_RNA) where: Base-Base interactions energy: -1431.377 where: short stacking energy: -564.894 Base-Backbone interact. energy: -2.080 local terms energy: -615.115007 where: bonds (distance) C4'-P energy: -110.910 bonds (distance) P-C4' energy: -119.238 flat angles C4'-P-C4' energy: -124.183 flat angles P-C4'-P energy: -90.178 tors. eta vs tors. theta energy: -170.606 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: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1947.941345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.941345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.941345 (E_RNA) where: Base-Base interactions energy: -1323.192 where: short stacking energy: -556.606 Base-Backbone interact. energy: -2.843 local terms energy: -621.906191 where: bonds (distance) C4'-P energy: -109.459 bonds (distance) P-C4' energy: -132.621 flat angles C4'-P-C4' energy: -137.882 flat angles P-C4'-P energy: -61.497 tors. eta vs tors. theta energy: -180.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1824.496010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.496010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.496010 (E_RNA) where: Base-Base interactions energy: -1249.094 where: short stacking energy: -526.260 Base-Backbone interact. energy: 0.199 local terms energy: -575.600480 where: bonds (distance) C4'-P energy: -105.036 bonds (distance) P-C4' energy: -118.513 flat angles C4'-P-C4' energy: -121.482 flat angles P-C4'-P energy: -61.442 tors. eta vs tors. theta energy: -169.127 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: 5, replica: 3 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1794.637618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.637618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.637618 (E_RNA) where: Base-Base interactions energy: -1239.010 where: short stacking energy: -514.947 Base-Backbone interact. energy: -1.510 local terms energy: -554.117398 where: bonds (distance) C4'-P energy: -107.386 bonds (distance) P-C4' energy: -113.471 flat angles C4'-P-C4' energy: -104.903 flat angles P-C4'-P energy: -72.429 tors. eta vs tors. theta energy: -155.927 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: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1473.785973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.785973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.785973 (E_RNA) where: Base-Base interactions energy: -948.816 where: short stacking energy: -420.017 Base-Backbone interact. energy: -1.653 local terms energy: -523.316485 where: bonds (distance) C4'-P energy: -101.956 bonds (distance) P-C4' energy: -109.753 flat angles C4'-P-C4' energy: -124.338 flat angles P-C4'-P energy: -71.632 tors. eta vs tors. theta energy: -115.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1146.747587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.747587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.747587 (E_RNA) where: Base-Base interactions energy: -689.398 where: short stacking energy: -312.277 Base-Backbone interact. energy: -0.937 local terms energy: -456.412724 where: bonds (distance) C4'-P energy: -101.012 bonds (distance) P-C4' energy: -99.711 flat angles C4'-P-C4' energy: -122.239 flat angles P-C4'-P energy: -65.008 tors. eta vs tors. theta energy: -68.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -965.810151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.810151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.810151 (E_RNA) where: Base-Base interactions energy: -571.027 where: short stacking energy: -298.046 Base-Backbone interact. energy: 10.836 local terms energy: -405.619381 where: bonds (distance) C4'-P energy: -109.763 bonds (distance) P-C4' energy: -89.306 flat angles C4'-P-C4' energy: -102.134 flat angles P-C4'-P energy: -61.654 tors. eta vs tors. theta energy: -42.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -619.319235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.319235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.319235 (E_RNA) where: Base-Base interactions energy: -280.084 where: short stacking energy: -192.970 Base-Backbone interact. energy: -0.834 local terms energy: -338.401268 where: bonds (distance) C4'-P energy: -100.528 bonds (distance) P-C4' energy: -108.890 flat angles C4'-P-C4' energy: -83.347 flat angles P-C4'-P energy: -45.222 tors. eta vs tors. theta energy: -0.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -449.373835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.373835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.373835 (E_RNA) where: Base-Base interactions energy: -151.437 where: short stacking energy: -110.977 Base-Backbone interact. energy: -2.327 local terms energy: -295.610062 where: bonds (distance) C4'-P energy: -100.222 bonds (distance) P-C4' energy: -105.146 flat angles C4'-P-C4' energy: -83.600 flat angles P-C4'-P energy: -39.143 tors. eta vs tors. theta energy: 32.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2191.896078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.896078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.896078 (E_RNA) where: Base-Base interactions energy: -1524.069 where: short stacking energy: -612.867 Base-Backbone interact. energy: -0.136 local terms energy: -667.690422 where: bonds (distance) C4'-P energy: -123.779 bonds (distance) P-C4' energy: -120.946 flat angles C4'-P-C4' energy: -142.209 flat angles P-C4'-P energy: -96.971 tors. eta vs tors. theta energy: -183.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2048.582915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.582915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.582915 (E_RNA) where: Base-Base interactions energy: -1388.140 where: short stacking energy: -565.882 Base-Backbone interact. energy: -0.150 local terms energy: -660.292928 where: bonds (distance) C4'-P energy: -122.607 bonds (distance) P-C4' energy: -121.758 flat angles C4'-P-C4' energy: -129.366 flat angles P-C4'-P energy: -100.214 tors. eta vs tors. theta energy: -186.347 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: 3, replica: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1962.281144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.281144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.281144 (E_RNA) where: Base-Base interactions energy: -1362.122 where: short stacking energy: -530.384 Base-Backbone interact. energy: -3.590 local terms energy: -596.569372 where: bonds (distance) C4'-P energy: -114.462 bonds (distance) P-C4' energy: -115.800 flat angles C4'-P-C4' energy: -127.120 flat angles P-C4'-P energy: -80.639 tors. eta vs tors. theta energy: -158.548 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: 5 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1829.709851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.709851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.709851 (E_RNA) where: Base-Base interactions energy: -1270.543 where: short stacking energy: -523.519 Base-Backbone interact. energy: -1.481 local terms energy: -557.685556 where: bonds (distance) C4'-P energy: -101.825 bonds (distance) P-C4' energy: -110.497 flat angles C4'-P-C4' energy: -124.306 flat angles P-C4'-P energy: -68.734 tors. eta vs tors. theta energy: -152.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1714.278159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.278159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.278159 (E_RNA) where: Base-Base interactions energy: -1155.495 where: short stacking energy: -464.571 Base-Backbone interact. energy: 0.469 local terms energy: -559.252664 where: bonds (distance) C4'-P energy: -116.026 bonds (distance) P-C4' energy: -100.673 flat angles C4'-P-C4' energy: -129.920 flat angles P-C4'-P energy: -77.494 tors. eta vs tors. theta energy: -135.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1467.063180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.063180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.063180 (E_RNA) where: Base-Base interactions energy: -948.938 where: short stacking energy: -424.518 Base-Backbone interact. energy: -0.176 local terms energy: -517.949094 where: bonds (distance) C4'-P energy: -101.692 bonds (distance) P-C4' energy: -107.088 flat angles C4'-P-C4' energy: -126.690 flat angles P-C4'-P energy: -78.698 tors. eta vs tors. theta energy: -103.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1079.774486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.774486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.774486 (E_RNA) where: Base-Base interactions energy: -666.304 where: short stacking energy: -288.674 Base-Backbone interact. energy: 0.240 local terms energy: -413.711031 where: bonds (distance) C4'-P energy: -115.660 bonds (distance) P-C4' energy: -112.586 flat angles C4'-P-C4' energy: -87.557 flat angles P-C4'-P energy: -49.698 tors. eta vs tors. theta energy: -48.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -948.846682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.846682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.846682 (E_RNA) where: Base-Base interactions energy: -563.077 where: short stacking energy: -276.226 Base-Backbone interact. energy: -0.304 local terms energy: -385.466382 where: bonds (distance) C4'-P energy: -95.084 bonds (distance) P-C4' energy: -100.696 flat angles C4'-P-C4' energy: -94.817 flat angles P-C4'-P energy: -61.729 tors. eta vs tors. theta energy: -33.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -617.500982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.500982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.500982 (E_RNA) where: Base-Base interactions energy: -271.671 where: short stacking energy: -183.134 Base-Backbone interact. energy: -3.045 local terms energy: -342.785403 where: bonds (distance) C4'-P energy: -106.151 bonds (distance) P-C4' energy: -106.089 flat angles C4'-P-C4' energy: -89.787 flat angles P-C4'-P energy: -58.261 tors. eta vs tors. theta energy: 17.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -475.478380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.478380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.478380 (E_RNA) where: Base-Base interactions energy: -164.168 where: short stacking energy: -121.579 Base-Backbone interact. energy: -0.599 local terms energy: -310.711715 where: bonds (distance) C4'-P energy: -93.199 bonds (distance) P-C4' energy: -108.133 flat angles C4'-P-C4' energy: -73.068 flat angles P-C4'-P energy: -54.527 tors. eta vs tors. theta energy: 18.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2182.960665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.960665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.960665 (E_RNA) where: Base-Base interactions energy: -1520.814 where: short stacking energy: -609.965 Base-Backbone interact. energy: -2.042 local terms energy: -660.105307 where: bonds (distance) C4'-P energy: -107.784 bonds (distance) P-C4' energy: -131.570 flat angles C4'-P-C4' energy: -133.687 flat angles P-C4'-P energy: -99.904 tors. eta vs tors. theta energy: -187.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2050.957240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.957240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.957240 (E_RNA) where: Base-Base interactions energy: -1416.417 where: short stacking energy: -593.405 Base-Backbone interact. energy: -3.227 local terms energy: -631.313731 where: bonds (distance) C4'-P energy: -118.890 bonds (distance) P-C4' energy: -117.817 flat angles C4'-P-C4' energy: -128.084 flat angles P-C4'-P energy: -81.792 tors. eta vs tors. theta energy: -184.731 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: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1967.707089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.707089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.707089 (E_RNA) where: Base-Base interactions energy: -1345.432 where: short stacking energy: -552.205 Base-Backbone interact. energy: -4.493 local terms energy: -617.782483 where: bonds (distance) C4'-P energy: -111.151 bonds (distance) P-C4' energy: -111.004 flat angles C4'-P-C4' energy: -137.119 flat angles P-C4'-P energy: -89.339 tors. eta vs tors. theta energy: -169.170 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: 5 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1820.290036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.290036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.290036 (E_RNA) where: Base-Base interactions energy: -1231.991 where: short stacking energy: -515.165 Base-Backbone interact. energy: -1.696 local terms energy: -586.602619 where: bonds (distance) C4'-P energy: -112.687 bonds (distance) P-C4' energy: -123.359 flat angles C4'-P-C4' energy: -124.030 flat angles P-C4'-P energy: -81.238 tors. eta vs tors. theta energy: -145.289 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: 5, replica: 3 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1729.543812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.543812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.543812 (E_RNA) where: Base-Base interactions energy: -1146.006 where: short stacking energy: -480.452 Base-Backbone interact. energy: 0.027 local terms energy: -583.564570 where: bonds (distance) C4'-P energy: -108.315 bonds (distance) P-C4' energy: -119.044 flat angles C4'-P-C4' energy: -131.970 flat angles P-C4'-P energy: -91.092 tors. eta vs tors. theta energy: -133.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1454.541098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.541098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.541098 (E_RNA) where: Base-Base interactions energy: -949.305 where: short stacking energy: -406.823 Base-Backbone interact. energy: -0.956 local terms energy: -504.280753 where: bonds (distance) C4'-P energy: -113.222 bonds (distance) P-C4' energy: -109.808 flat angles C4'-P-C4' energy: -104.874 flat angles P-C4'-P energy: -65.475 tors. eta vs tors. theta energy: -110.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1105.520753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.520753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.520753 (E_RNA) where: Base-Base interactions energy: -678.283 where: short stacking energy: -319.886 Base-Backbone interact. energy: -0.288 local terms energy: -426.949409 where: bonds (distance) C4'-P energy: -114.337 bonds (distance) P-C4' energy: -81.854 flat angles C4'-P-C4' energy: -100.492 flat angles P-C4'-P energy: -66.047 tors. eta vs tors. theta energy: -64.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -946.250905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.250905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.250905 (E_RNA) where: Base-Base interactions energy: -538.419 where: short stacking energy: -255.491 Base-Backbone interact. energy: -6.231 local terms energy: -401.600504 where: bonds (distance) C4'-P energy: -108.057 bonds (distance) P-C4' energy: -109.802 flat angles C4'-P-C4' energy: -92.542 flat angles P-C4'-P energy: -57.172 tors. eta vs tors. theta energy: -34.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -607.881290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.881290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.881290 (E_RNA) where: Base-Base interactions energy: -296.414 where: short stacking energy: -165.764 Base-Backbone interact. energy: 3.121 local terms energy: -314.587868 where: bonds (distance) C4'-P energy: -96.777 bonds (distance) P-C4' energy: -90.985 flat angles C4'-P-C4' energy: -80.553 flat angles P-C4'-P energy: -47.880 tors. eta vs tors. theta energy: 1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -465.716777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.716777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.716777 (E_RNA) where: Base-Base interactions energy: -165.205 where: short stacking energy: -128.638 Base-Backbone interact. energy: 2.968 local terms energy: -303.480051 where: bonds (distance) C4'-P energy: -97.134 bonds (distance) P-C4' energy: -104.330 flat angles C4'-P-C4' energy: -68.889 flat angles P-C4'-P energy: -51.104 tors. eta vs tors. theta energy: 17.977 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: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2156.001333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.001333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.001333 (E_RNA) where: Base-Base interactions energy: -1494.230 where: short stacking energy: -599.899 Base-Backbone interact. energy: 0.516 local terms energy: -662.286886 where: bonds (distance) C4'-P energy: -123.032 bonds (distance) P-C4' energy: -127.772 flat angles C4'-P-C4' energy: -139.788 flat angles P-C4'-P energy: -89.384 tors. eta vs tors. theta energy: -182.310 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: 7 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2067.392737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.392737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.392737 (E_RNA) where: Base-Base interactions energy: -1452.267 where: short stacking energy: -599.909 Base-Backbone interact. energy: -0.632 local terms energy: -614.494210 where: bonds (distance) C4'-P energy: -100.012 bonds (distance) P-C4' energy: -113.684 flat angles C4'-P-C4' energy: -129.319 flat angles P-C4'-P energy: -91.515 tors. eta vs tors. theta energy: -179.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1978.941020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.941020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.941020 (E_RNA) where: Base-Base interactions energy: -1381.551 where: short stacking energy: -571.544 Base-Backbone interact. energy: 2.239 local terms energy: -599.628381 where: bonds (distance) C4'-P energy: -93.565 bonds (distance) P-C4' energy: -128.103 flat angles C4'-P-C4' energy: -131.068 flat angles P-C4'-P energy: -72.563 tors. eta vs tors. theta energy: -174.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1844.496304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.496304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.496304 (E_RNA) where: Base-Base interactions energy: -1252.952 where: short stacking energy: -541.937 Base-Backbone interact. energy: -2.756 local terms energy: -588.788805 where: bonds (distance) C4'-P energy: -102.531 bonds (distance) P-C4' energy: -117.132 flat angles C4'-P-C4' energy: -130.750 flat angles P-C4'-P energy: -69.949 tors. eta vs tors. theta energy: -168.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1699.634052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.634052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.634052 (E_RNA) where: Base-Base interactions energy: -1154.935 where: short stacking energy: -498.811 Base-Backbone interact. energy: 0.974 local terms energy: -545.673132 where: bonds (distance) C4'-P energy: -106.204 bonds (distance) P-C4' energy: -108.415 flat angles C4'-P-C4' energy: -109.649 flat angles P-C4'-P energy: -80.763 tors. eta vs tors. theta energy: -140.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1439.040709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.040709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.040709 (E_RNA) where: Base-Base interactions energy: -924.937 where: short stacking energy: -410.555 Base-Backbone interact. energy: 2.558 local terms energy: -516.661503 where: bonds (distance) C4'-P energy: -104.753 bonds (distance) P-C4' energy: -116.930 flat angles C4'-P-C4' energy: -121.222 flat angles P-C4'-P energy: -62.684 tors. eta vs tors. theta energy: -111.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1059.338588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.338588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.338588 (E_RNA) where: Base-Base interactions energy: -632.035 where: short stacking energy: -286.650 Base-Backbone interact. energy: -0.649 local terms energy: -426.655077 where: bonds (distance) C4'-P energy: -98.496 bonds (distance) P-C4' energy: -97.624 flat angles C4'-P-C4' energy: -101.217 flat angles P-C4'-P energy: -72.523 tors. eta vs tors. theta energy: -56.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -951.209228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.209228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.209228 (E_RNA) where: Base-Base interactions energy: -552.082 where: short stacking energy: -267.881 Base-Backbone interact. energy: -2.334 local terms energy: -396.793549 where: bonds (distance) C4'-P energy: -103.935 bonds (distance) P-C4' energy: -97.857 flat angles C4'-P-C4' energy: -102.434 flat angles P-C4'-P energy: -56.513 tors. eta vs tors. theta energy: -36.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -620.511599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.511599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.511599 (E_RNA) where: Base-Base interactions energy: -260.801 where: short stacking energy: -144.226 Base-Backbone interact. energy: 3.812 local terms energy: -363.522366 where: bonds (distance) C4'-P energy: -124.262 bonds (distance) P-C4' energy: -108.202 flat angles C4'-P-C4' energy: -93.969 flat angles P-C4'-P energy: -58.981 tors. eta vs tors. theta energy: 21.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -460.058379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.058379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.058379 (E_RNA) where: Base-Base interactions energy: -149.099 where: short stacking energy: -122.123 Base-Backbone interact. energy: 4.082 local terms energy: -315.041792 where: bonds (distance) C4'-P energy: -130.724 bonds (distance) P-C4' energy: -109.238 flat angles C4'-P-C4' energy: -79.351 flat angles P-C4'-P energy: -31.407 tors. eta vs tors. theta energy: 35.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2166.930693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.930693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.930693 (E_RNA) where: Base-Base interactions energy: -1518.043 where: short stacking energy: -603.599 Base-Backbone interact. energy: -1.467 local terms energy: -647.420516 where: bonds (distance) C4'-P energy: -122.081 bonds (distance) P-C4' energy: -120.342 flat angles C4'-P-C4' energy: -138.983 flat angles P-C4'-P energy: -87.579 tors. eta vs tors. theta energy: -178.436 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: 7 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2099.400755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.400755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.400755 (E_RNA) where: Base-Base interactions energy: -1455.417 where: short stacking energy: -595.200 Base-Backbone interact. energy: -2.312 local terms energy: -641.671637 where: bonds (distance) C4'-P energy: -126.702 bonds (distance) P-C4' energy: -109.981 flat angles C4'-P-C4' energy: -135.603 flat angles P-C4'-P energy: -92.406 tors. eta vs tors. theta energy: -176.981 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: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1976.238606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.238606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.238606 (E_RNA) where: Base-Base interactions energy: -1363.455 where: short stacking energy: -559.472 Base-Backbone interact. energy: 0.770 local terms energy: -613.553266 where: bonds (distance) C4'-P energy: -116.588 bonds (distance) P-C4' energy: -102.454 flat angles C4'-P-C4' energy: -127.753 flat angles P-C4'-P energy: -94.417 tors. eta vs tors. theta energy: -172.342 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: 5 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1861.543699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.543699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.543699 (E_RNA) where: Base-Base interactions energy: -1267.400 where: short stacking energy: -533.638 Base-Backbone interact. energy: -3.084 local terms energy: -591.058968 where: bonds (distance) C4'-P energy: -106.221 bonds (distance) P-C4' energy: -126.463 flat angles C4'-P-C4' energy: -131.190 flat angles P-C4'-P energy: -76.225 tors. eta vs tors. theta energy: -150.960 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: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1696.769666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.769666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.769666 (E_RNA) where: Base-Base interactions energy: -1129.213 where: short stacking energy: -491.675 Base-Backbone interact. energy: -2.186 local terms energy: -565.370268 where: bonds (distance) C4'-P energy: -109.169 bonds (distance) P-C4' energy: -118.354 flat angles C4'-P-C4' energy: -118.721 flat angles P-C4'-P energy: -78.226 tors. eta vs tors. theta energy: -140.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1447.964107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.964107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.964107 (E_RNA) where: Base-Base interactions energy: -954.686 where: short stacking energy: -431.842 Base-Backbone interact. energy: 0.136 local terms energy: -493.414244 where: bonds (distance) C4'-P energy: -99.573 bonds (distance) P-C4' energy: -94.875 flat angles C4'-P-C4' energy: -126.852 flat angles P-C4'-P energy: -58.256 tors. eta vs tors. theta energy: -113.858 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: 10 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1047.550550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.550550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.550550 (E_RNA) where: Base-Base interactions energy: -605.012 where: short stacking energy: -294.371 Base-Backbone interact. energy: 2.853 local terms energy: -445.391654 where: bonds (distance) C4'-P energy: -90.191 bonds (distance) P-C4' energy: -109.477 flat angles C4'-P-C4' energy: -117.569 flat angles P-C4'-P energy: -69.945 tors. eta vs tors. theta energy: -58.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -903.310345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.310345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.310345 (E_RNA) where: Base-Base interactions energy: -511.716 where: short stacking energy: -253.551 Base-Backbone interact. energy: 0.315 local terms energy: -391.909043 where: bonds (distance) C4'-P energy: -95.903 bonds (distance) P-C4' energy: -115.042 flat angles C4'-P-C4' energy: -90.659 flat angles P-C4'-P energy: -58.924 tors. eta vs tors. theta energy: -31.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -646.504984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.504984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.504984 (E_RNA) where: Base-Base interactions energy: -288.605 where: short stacking energy: -161.051 Base-Backbone interact. energy: -0.495 local terms energy: -357.405268 where: bonds (distance) C4'-P energy: -100.060 bonds (distance) P-C4' energy: -112.659 flat angles C4'-P-C4' energy: -89.866 flat angles P-C4'-P energy: -62.860 tors. eta vs tors. theta energy: 8.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -471.896371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.896371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.896371 (E_RNA) where: Base-Base interactions energy: -146.629 where: short stacking energy: -127.539 Base-Backbone interact. energy: 0.064 local terms energy: -325.330804 where: bonds (distance) C4'-P energy: -100.211 bonds (distance) P-C4' energy: -103.280 flat angles C4'-P-C4' energy: -92.098 flat angles P-C4'-P energy: -46.133 tors. eta vs tors. theta energy: 16.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2187.767922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.767922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.767922 (E_RNA) where: Base-Base interactions energy: -1525.868 where: short stacking energy: -588.016 Base-Backbone interact. energy: -3.538 local terms energy: -658.361569 where: bonds (distance) C4'-P energy: -116.177 bonds (distance) P-C4' energy: -130.768 flat angles C4'-P-C4' energy: -144.556 flat angles P-C4'-P energy: -90.432 tors. eta vs tors. theta energy: -176.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2076.922371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.922371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.922371 (E_RNA) where: Base-Base interactions energy: -1446.489 where: short stacking energy: -592.547 Base-Backbone interact. energy: -4.147 local terms energy: -626.286316 where: bonds (distance) C4'-P energy: -94.188 bonds (distance) P-C4' energy: -113.182 flat angles C4'-P-C4' energy: -134.502 flat angles P-C4'-P energy: -101.441 tors. eta vs tors. theta energy: -182.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1965.435383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.435383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.435383 (E_RNA) where: Base-Base interactions energy: -1351.602 where: short stacking energy: -557.818 Base-Backbone interact. energy: -3.469 local terms energy: -610.364369 where: bonds (distance) C4'-P energy: -112.304 bonds (distance) P-C4' energy: -103.169 flat angles C4'-P-C4' energy: -124.375 flat angles P-C4'-P energy: -88.344 tors. eta vs tors. theta energy: -182.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1859.946077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.946077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.946077 (E_RNA) where: Base-Base interactions energy: -1251.274 where: short stacking energy: -536.461 Base-Backbone interact. energy: -1.058 local terms energy: -607.613603 where: bonds (distance) C4'-P energy: -97.262 bonds (distance) P-C4' energy: -109.024 flat angles C4'-P-C4' energy: -135.985 flat angles P-C4'-P energy: -91.287 tors. eta vs tors. theta energy: -174.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1730.832854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.832854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.832854 (E_RNA) where: Base-Base interactions energy: -1171.097 where: short stacking energy: -508.740 Base-Backbone interact. energy: 1.507 local terms energy: -561.243053 where: bonds (distance) C4'-P energy: -110.064 bonds (distance) P-C4' energy: -118.241 flat angles C4'-P-C4' energy: -119.854 flat angles P-C4'-P energy: -72.771 tors. eta vs tors. theta energy: -140.312 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: 2 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1538.440476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.440476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.440476 (E_RNA) where: Base-Base interactions energy: -1003.919 where: short stacking energy: -450.170 Base-Backbone interact. energy: 1.663 local terms energy: -536.184074 where: bonds (distance) C4'-P energy: -111.193 bonds (distance) P-C4' energy: -102.114 flat angles C4'-P-C4' energy: -119.903 flat angles P-C4'-P energy: -80.164 tors. eta vs tors. theta energy: -122.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1097.309215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.309215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.309215 (E_RNA) where: Base-Base interactions energy: -657.635 where: short stacking energy: -323.938 Base-Backbone interact. energy: 1.500 local terms energy: -441.173838 where: bonds (distance) C4'-P energy: -90.471 bonds (distance) P-C4' energy: -96.170 flat angles C4'-P-C4' energy: -101.794 flat angles P-C4'-P energy: -79.185 tors. eta vs tors. theta energy: -73.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -881.575792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.575792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.575792 (E_RNA) where: Base-Base interactions energy: -520.495 where: short stacking energy: -248.500 Base-Backbone interact. energy: -1.216 local terms energy: -359.865029 where: bonds (distance) C4'-P energy: -102.853 bonds (distance) P-C4' energy: -103.118 flat angles C4'-P-C4' energy: -72.385 flat angles P-C4'-P energy: -51.942 tors. eta vs tors. theta energy: -29.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -591.345618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.345618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.345618 (E_RNA) where: Base-Base interactions energy: -236.485 where: short stacking energy: -166.576 Base-Backbone interact. energy: -0.732 local terms energy: -354.129011 where: bonds (distance) C4'-P energy: -115.414 bonds (distance) P-C4' energy: -100.435 flat angles C4'-P-C4' energy: -68.407 flat angles P-C4'-P energy: -51.969 tors. eta vs tors. theta energy: -17.904 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: 10, replica: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -454.100680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.100680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.100680 (E_RNA) where: Base-Base interactions energy: -175.191 where: short stacking energy: -113.054 Base-Backbone interact. energy: -0.644 local terms energy: -278.265083 where: bonds (distance) C4'-P energy: -90.502 bonds (distance) P-C4' energy: -108.912 flat angles C4'-P-C4' energy: -67.673 flat angles P-C4'-P energy: -38.357 tors. eta vs tors. theta energy: 27.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2193.567407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.567407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.567407 (E_RNA) where: Base-Base interactions energy: -1537.714 where: short stacking energy: -630.039 Base-Backbone interact. energy: -3.700 local terms energy: -652.153249 where: bonds (distance) C4'-P energy: -128.669 bonds (distance) P-C4' energy: -113.496 flat angles C4'-P-C4' energy: -148.390 flat angles P-C4'-P energy: -84.540 tors. eta vs tors. theta energy: -177.059 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: 7 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2088.923637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.923637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.923637 (E_RNA) where: Base-Base interactions energy: -1441.667 where: short stacking energy: -576.471 Base-Backbone interact. energy: -2.901 local terms energy: -644.356004 where: bonds (distance) C4'-P energy: -106.666 bonds (distance) P-C4' energy: -122.756 flat angles C4'-P-C4' energy: -143.035 flat angles P-C4'-P energy: -90.321 tors. eta vs tors. theta energy: -181.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1946.988954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.988954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.988954 (E_RNA) where: Base-Base interactions energy: -1324.526 where: short stacking energy: -569.138 Base-Backbone interact. energy: -0.099 local terms energy: -622.363541 where: bonds (distance) C4'-P energy: -109.885 bonds (distance) P-C4' energy: -130.844 flat angles C4'-P-C4' energy: -120.253 flat angles P-C4'-P energy: -88.057 tors. eta vs tors. theta energy: -173.324 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: 5 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1806.715172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.715172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.715172 (E_RNA) where: Base-Base interactions energy: -1235.856 where: short stacking energy: -501.688 Base-Backbone interact. energy: -3.244 local terms energy: -567.615424 where: bonds (distance) C4'-P energy: -112.939 bonds (distance) P-C4' energy: -101.277 flat angles C4'-P-C4' energy: -131.169 flat angles P-C4'-P energy: -82.008 tors. eta vs tors. theta energy: -140.222 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: 3 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1707.172214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.172214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.172214 (E_RNA) where: Base-Base interactions energy: -1167.392 where: short stacking energy: -503.574 Base-Backbone interact. energy: -3.189 local terms energy: -536.591662 where: bonds (distance) C4'-P energy: -97.612 bonds (distance) P-C4' energy: -109.277 flat angles C4'-P-C4' energy: -117.752 flat angles P-C4'-P energy: -74.648 tors. eta vs tors. theta energy: -137.303 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: 322 Temperature: 1.150000 Total energy: -1636.013033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.013033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.013033 (E_RNA) where: Base-Base interactions energy: -1088.304 where: short stacking energy: -511.150 Base-Backbone interact. energy: -1.766 local terms energy: -545.942842 where: bonds (distance) C4'-P energy: -99.152 bonds (distance) P-C4' energy: -103.968 flat angles C4'-P-C4' energy: -118.056 flat angles P-C4'-P energy: -71.304 tors. eta vs tors. theta energy: -153.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1080.309189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.309189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.309189 (E_RNA) where: Base-Base interactions energy: -660.550 where: short stacking energy: -300.143 Base-Backbone interact. energy: -0.391 local terms energy: -419.367674 where: bonds (distance) C4'-P energy: -96.858 bonds (distance) P-C4' energy: -109.831 flat angles C4'-P-C4' energy: -101.446 flat angles P-C4'-P energy: -67.133 tors. eta vs tors. theta energy: -44.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1016.108730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.108730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.108730 (E_RNA) where: Base-Base interactions energy: -624.868 where: short stacking energy: -275.186 Base-Backbone interact. energy: -2.530 local terms energy: -388.711390 where: bonds (distance) C4'-P energy: -93.074 bonds (distance) P-C4' energy: -96.309 flat angles C4'-P-C4' energy: -94.552 flat angles P-C4'-P energy: -67.317 tors. eta vs tors. theta energy: -37.460 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: 8 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -598.158703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.158703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.158703 (E_RNA) where: Base-Base interactions energy: -264.528 where: short stacking energy: -158.278 Base-Backbone interact. energy: -3.281 local terms energy: -330.349919 where: bonds (distance) C4'-P energy: -90.494 bonds (distance) P-C4' energy: -119.856 flat angles C4'-P-C4' energy: -83.098 flat angles P-C4'-P energy: -55.278 tors. eta vs tors. theta energy: 18.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -484.473894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.473894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.473894 (E_RNA) where: Base-Base interactions energy: -194.739 where: short stacking energy: -125.988 Base-Backbone interact. energy: 1.108 local terms energy: -290.842772 where: bonds (distance) C4'-P energy: -97.656 bonds (distance) P-C4' energy: -102.753 flat angles C4'-P-C4' energy: -79.963 flat angles P-C4'-P energy: -35.234 tors. eta vs tors. theta energy: 24.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2175.893673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.893673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.893673 (E_RNA) where: Base-Base interactions energy: -1520.925 where: short stacking energy: -604.797 Base-Backbone interact. energy: -3.167 local terms energy: -651.801139 where: bonds (distance) C4'-P energy: -114.441 bonds (distance) P-C4' energy: -121.891 flat angles C4'-P-C4' energy: -144.622 flat angles P-C4'-P energy: -95.513 tors. eta vs tors. theta energy: -175.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2079.300250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.300250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.300250 (E_RNA) where: Base-Base interactions energy: -1436.878 where: short stacking energy: -603.229 Base-Backbone interact. energy: -2.234 local terms energy: -640.188920 where: bonds (distance) C4'-P energy: -112.711 bonds (distance) P-C4' energy: -118.519 flat angles C4'-P-C4' energy: -127.655 flat angles P-C4'-P energy: -91.713 tors. eta vs tors. theta energy: -189.591 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: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1979.956518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.956518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.956518 (E_RNA) where: Base-Base interactions energy: -1360.593 where: short stacking energy: -542.985 Base-Backbone interact. energy: -1.214 local terms energy: -618.150404 where: bonds (distance) C4'-P energy: -98.195 bonds (distance) P-C4' energy: -116.191 flat angles C4'-P-C4' energy: -130.549 flat angles P-C4'-P energy: -94.164 tors. eta vs tors. theta energy: -179.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1833.211329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.211329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.211329 (E_RNA) where: Base-Base interactions energy: -1227.720 where: short stacking energy: -517.398 Base-Backbone interact. energy: -2.241 local terms energy: -603.250556 where: bonds (distance) C4'-P energy: -120.956 bonds (distance) P-C4' energy: -100.516 flat angles C4'-P-C4' energy: -135.774 flat angles P-C4'-P energy: -86.005 tors. eta vs tors. theta energy: -159.999 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: 3 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1672.653742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.653742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.653742 (E_RNA) where: Base-Base interactions energy: -1144.805 where: short stacking energy: -463.169 Base-Backbone interact. energy: -0.774 local terms energy: -527.074472 where: bonds (distance) C4'-P energy: -109.343 bonds (distance) P-C4' energy: -107.209 flat angles C4'-P-C4' energy: -110.704 flat angles P-C4'-P energy: -66.574 tors. eta vs tors. theta energy: -133.246 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: 2 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1642.771840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.771840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.771840 (E_RNA) where: Base-Base interactions energy: -1084.918 where: short stacking energy: -476.837 Base-Backbone interact. energy: -0.673 local terms energy: -557.181636 where: bonds (distance) C4'-P energy: -115.315 bonds (distance) P-C4' energy: -97.518 flat angles C4'-P-C4' energy: -129.454 flat angles P-C4'-P energy: -65.588 tors. eta vs tors. theta energy: -149.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1083.083000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.083000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.083000 (E_RNA) where: Base-Base interactions energy: -651.480 where: short stacking energy: -305.966 Base-Backbone interact. energy: 0.547 local terms energy: -432.150186 where: bonds (distance) C4'-P energy: -101.599 bonds (distance) P-C4' energy: -99.548 flat angles C4'-P-C4' energy: -105.868 flat angles P-C4'-P energy: -62.904 tors. eta vs tors. theta energy: -62.232 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: 6 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -940.735589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.735589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.735589 (E_RNA) where: Base-Base interactions energy: -573.274 where: short stacking energy: -259.571 Base-Backbone interact. energy: 3.082 local terms energy: -370.544206 where: bonds (distance) C4'-P energy: -98.131 bonds (distance) P-C4' energy: -85.395 flat angles C4'-P-C4' energy: -95.559 flat angles P-C4'-P energy: -68.186 tors. eta vs tors. theta energy: -23.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -630.459137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.459137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.459137 (E_RNA) where: Base-Base interactions energy: -281.725 where: short stacking energy: -161.428 Base-Backbone interact. energy: -0.127 local terms energy: -348.607192 where: bonds (distance) C4'-P energy: -100.689 bonds (distance) P-C4' energy: -94.160 flat angles C4'-P-C4' energy: -89.868 flat angles P-C4'-P energy: -52.608 tors. eta vs tors. theta energy: -11.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -516.873465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.873465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.873465 (E_RNA) where: Base-Base interactions energy: -201.005 where: short stacking energy: -153.115 Base-Backbone interact. energy: 0.993 local terms energy: -316.861484 where: bonds (distance) C4'-P energy: -106.057 bonds (distance) P-C4' energy: -100.767 flat angles C4'-P-C4' energy: -82.542 flat angles P-C4'-P energy: -40.878 tors. eta vs tors. theta energy: 13.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2154.104079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.104079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.104079 (E_RNA) where: Base-Base interactions energy: -1507.970 where: short stacking energy: -594.252 Base-Backbone interact. energy: 0.315 local terms energy: -646.449297 where: bonds (distance) C4'-P energy: -125.785 bonds (distance) P-C4' energy: -124.258 flat angles C4'-P-C4' energy: -146.512 flat angles P-C4'-P energy: -84.121 tors. eta vs tors. theta energy: -165.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2071.133181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.133181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.133181 (E_RNA) where: Base-Base interactions energy: -1416.625 where: short stacking energy: -567.646 Base-Backbone interact. energy: -3.928 local terms energy: -650.580282 where: bonds (distance) C4'-P energy: -124.932 bonds (distance) P-C4' energy: -116.368 flat angles C4'-P-C4' energy: -139.777 flat angles P-C4'-P energy: -93.700 tors. eta vs tors. theta energy: -175.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1983.059740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.059740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.059740 (E_RNA) where: Base-Base interactions energy: -1357.995 where: short stacking energy: -532.079 Base-Backbone interact. energy: -3.031 local terms energy: -622.033792 where: bonds (distance) C4'-P energy: -110.393 bonds (distance) P-C4' energy: -110.364 flat angles C4'-P-C4' energy: -137.278 flat angles P-C4'-P energy: -91.795 tors. eta vs tors. theta energy: -172.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1820.005771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.005771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.005771 (E_RNA) where: Base-Base interactions energy: -1211.319 where: short stacking energy: -538.806 Base-Backbone interact. energy: -2.470 local terms energy: -606.216958 where: bonds (distance) C4'-P energy: -116.102 bonds (distance) P-C4' energy: -120.684 flat angles C4'-P-C4' energy: -128.939 flat angles P-C4'-P energy: -85.689 tors. eta vs tors. theta energy: -154.802 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: 324 Temperature: 1.100000 Total energy: -1710.064245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.064245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.064245 (E_RNA) where: Base-Base interactions energy: -1140.639 where: short stacking energy: -484.786 Base-Backbone interact. energy: -1.460 local terms energy: -567.965902 where: bonds (distance) C4'-P energy: -106.938 bonds (distance) P-C4' energy: -117.895 flat angles C4'-P-C4' energy: -113.825 flat angles P-C4'-P energy: -69.021 tors. eta vs tors. theta energy: -160.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1586.047565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.047565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.047565 (E_RNA) where: Base-Base interactions energy: -1043.753 where: short stacking energy: -424.516 Base-Backbone interact. energy: -1.550 local terms energy: -540.744588 where: bonds (distance) C4'-P energy: -96.611 bonds (distance) P-C4' energy: -128.428 flat angles C4'-P-C4' energy: -122.383 flat angles P-C4'-P energy: -83.835 tors. eta vs tors. theta energy: -109.486 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: 10 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1109.361572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.361572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.361572 (E_RNA) where: Base-Base interactions energy: -682.597 where: short stacking energy: -309.157 Base-Backbone interact. energy: 1.073 local terms energy: -427.838347 where: bonds (distance) C4'-P energy: -104.994 bonds (distance) P-C4' energy: -114.210 flat angles C4'-P-C4' energy: -105.998 flat angles P-C4'-P energy: -57.238 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: 8, replica: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -962.139374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.139374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.139374 (E_RNA) where: Base-Base interactions energy: -563.153 where: short stacking energy: -257.986 Base-Backbone interact. energy: 8.474 local terms energy: -407.460160 where: bonds (distance) C4'-P energy: -105.056 bonds (distance) P-C4' energy: -95.977 flat angles C4'-P-C4' energy: -100.218 flat angles P-C4'-P energy: -69.238 tors. eta vs tors. theta energy: -36.970 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: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -569.978462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.978462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.978462 (E_RNA) where: Base-Base interactions energy: -252.972 where: short stacking energy: -160.947 Base-Backbone interact. energy: 1.249 local terms energy: -318.255157 where: bonds (distance) C4'-P energy: -101.242 bonds (distance) P-C4' energy: -115.580 flat angles C4'-P-C4' energy: -93.575 flat angles P-C4'-P energy: -25.700 tors. eta vs tors. theta energy: 17.841 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: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -618.527184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.527184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.527184 (E_RNA) where: Base-Base interactions energy: -284.731 where: short stacking energy: -161.694 Base-Backbone interact. energy: 1.707 local terms energy: -335.503170 where: bonds (distance) C4'-P energy: -92.040 bonds (distance) P-C4' energy: -111.357 flat angles C4'-P-C4' energy: -81.198 flat angles P-C4'-P energy: -63.500 tors. eta vs tors. theta energy: 12.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2148.557056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.557056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.557056 (E_RNA) where: Base-Base interactions energy: -1503.840 where: short stacking energy: -603.635 Base-Backbone interact. energy: -2.485 local terms energy: -642.232260 where: bonds (distance) C4'-P energy: -124.250 bonds (distance) P-C4' energy: -125.902 flat angles C4'-P-C4' energy: -137.246 flat angles P-C4'-P energy: -85.369 tors. eta vs tors. theta energy: -169.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2061.373220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.373220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.373220 (E_RNA) where: Base-Base interactions energy: -1415.879 where: short stacking energy: -589.643 Base-Backbone interact. energy: -3.820 local terms energy: -641.675064 where: bonds (distance) C4'-P energy: -115.014 bonds (distance) P-C4' energy: -119.165 flat angles C4'-P-C4' energy: -140.172 flat angles P-C4'-P energy: -84.186 tors. eta vs tors. theta energy: -183.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1959.037933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.037933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.037933 (E_RNA) where: Base-Base interactions energy: -1319.371 where: short stacking energy: -533.113 Base-Backbone interact. energy: -3.846 local terms energy: -635.820611 where: bonds (distance) C4'-P energy: -133.125 bonds (distance) P-C4' energy: -122.542 flat angles C4'-P-C4' energy: -127.590 flat angles P-C4'-P energy: -78.357 tors. eta vs tors. theta energy: -174.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1828.737655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.737655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.737655 (E_RNA) where: Base-Base interactions energy: -1221.989 where: short stacking energy: -504.217 Base-Backbone interact. energy: -3.726 local terms energy: -603.022378 where: bonds (distance) C4'-P energy: -120.462 bonds (distance) P-C4' energy: -119.527 flat angles C4'-P-C4' energy: -128.272 flat angles P-C4'-P energy: -91.050 tors. eta vs tors. theta energy: -143.712 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: 325 Temperature: 1.100000 Total energy: -1680.719904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.719904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.719904 (E_RNA) where: Base-Base interactions energy: -1117.079 where: short stacking energy: -486.552 Base-Backbone interact. energy: 0.698 local terms energy: -564.338799 where: bonds (distance) C4'-P energy: -113.047 bonds (distance) P-C4' energy: -116.214 flat angles C4'-P-C4' energy: -111.823 flat angles P-C4'-P energy: -81.329 tors. eta vs tors. theta energy: -141.925 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: 6, replica: 3 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1567.382927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.382927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.382927 (E_RNA) where: Base-Base interactions energy: -1041.577 where: short stacking energy: -434.879 Base-Backbone interact. energy: 0.194 local terms energy: -525.999964 where: bonds (distance) C4'-P energy: -108.883 bonds (distance) P-C4' energy: -114.474 flat angles C4'-P-C4' energy: -109.270 flat angles P-C4'-P energy: -69.355 tors. eta vs tors. theta energy: -124.017 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: 10 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1067.616914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.616914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.616914 (E_RNA) where: Base-Base interactions energy: -646.678 where: short stacking energy: -305.965 Base-Backbone interact. energy: 0.762 local terms energy: -421.701522 where: bonds (distance) C4'-P energy: -107.341 bonds (distance) P-C4' energy: -88.207 flat angles C4'-P-C4' energy: -119.478 flat angles P-C4'-P energy: -56.523 tors. eta vs tors. theta energy: -50.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -921.269816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.269816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.269816 (E_RNA) where: Base-Base interactions energy: -532.394 where: short stacking energy: -258.840 Base-Backbone interact. energy: 8.464 local terms energy: -397.339632 where: bonds (distance) C4'-P energy: -105.877 bonds (distance) P-C4' energy: -113.257 flat angles C4'-P-C4' energy: -101.139 flat angles P-C4'-P energy: -51.836 tors. eta vs tors. theta energy: -25.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -542.412850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.412850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.412850 (E_RNA) where: Base-Base interactions energy: -210.285 where: short stacking energy: -165.474 Base-Backbone interact. energy: 2.680 local terms energy: -334.807539 where: bonds (distance) C4'-P energy: -97.460 bonds (distance) P-C4' energy: -106.665 flat angles C4'-P-C4' energy: -87.182 flat angles P-C4'-P energy: -47.224 tors. eta vs tors. theta energy: 3.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -601.161850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.161850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.161850 (E_RNA) where: Base-Base interactions energy: -272.874 where: short stacking energy: -167.422 Base-Backbone interact. energy: 1.912 local terms energy: -330.200373 where: bonds (distance) C4'-P energy: -82.825 bonds (distance) P-C4' energy: -112.693 flat angles C4'-P-C4' energy: -90.602 flat angles P-C4'-P energy: -46.865 tors. eta vs tors. theta energy: 2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2151.796232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.796232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.796232 (E_RNA) where: Base-Base interactions energy: -1525.815 where: short stacking energy: -608.583 Base-Backbone interact. energy: -2.055 local terms energy: -623.925767 where: bonds (distance) C4'-P energy: -115.602 bonds (distance) P-C4' energy: -123.467 flat angles C4'-P-C4' energy: -128.396 flat angles P-C4'-P energy: -91.749 tors. eta vs tors. theta energy: -164.712 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: 7 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2051.298779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.298779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.298779 (E_RNA) where: Base-Base interactions energy: -1418.401 where: short stacking energy: -566.487 Base-Backbone interact. energy: -0.192 local terms energy: -632.705408 where: bonds (distance) C4'-P energy: -120.868 bonds (distance) P-C4' energy: -113.903 flat angles C4'-P-C4' energy: -132.864 flat angles P-C4'-P energy: -94.998 tors. eta vs tors. theta energy: -170.073 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: 4 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1952.747133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.747133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.747133 (E_RNA) where: Base-Base interactions energy: -1329.662 where: short stacking energy: -557.143 Base-Backbone interact. energy: -2.473 local terms energy: -620.612994 where: bonds (distance) C4'-P energy: -101.819 bonds (distance) P-C4' energy: -119.223 flat angles C4'-P-C4' energy: -130.900 flat angles P-C4'-P energy: -88.184 tors. eta vs tors. theta energy: -180.488 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: 326 Temperature: 1.050000 Total energy: -1828.595706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.595706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.595706 (E_RNA) where: Base-Base interactions energy: -1255.954 where: short stacking energy: -519.973 Base-Backbone interact. energy: -2.488 local terms energy: -570.153474 where: bonds (distance) C4'-P energy: -102.885 bonds (distance) P-C4' energy: -107.182 flat angles C4'-P-C4' energy: -131.651 flat angles P-C4'-P energy: -86.811 tors. eta vs tors. theta energy: -141.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1735.216174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.216174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.216174 (E_RNA) where: Base-Base interactions energy: -1152.032 where: short stacking energy: -502.630 Base-Backbone interact. energy: -1.086 local terms energy: -582.098306 where: bonds (distance) C4'-P energy: -112.317 bonds (distance) P-C4' energy: -107.370 flat angles C4'-P-C4' energy: -120.793 flat angles P-C4'-P energy: -76.847 tors. eta vs tors. theta energy: -164.771 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: 6, replica: 3 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1442.967893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.967893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.967893 (E_RNA) where: Base-Base interactions energy: -946.081 where: short stacking energy: -384.993 Base-Backbone interact. energy: -3.167 local terms energy: -493.720609 where: bonds (distance) C4'-P energy: -101.049 bonds (distance) P-C4' energy: -98.892 flat angles C4'-P-C4' energy: -113.785 flat angles P-C4'-P energy: -80.736 tors. eta vs tors. theta energy: -99.259 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: 10 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1052.440766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.440766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.440766 (E_RNA) where: Base-Base interactions energy: -640.247 where: short stacking energy: -307.946 Base-Backbone interact. energy: -2.026 local terms energy: -410.167711 where: bonds (distance) C4'-P energy: -114.581 bonds (distance) P-C4' energy: -96.826 flat angles C4'-P-C4' energy: -105.800 flat angles P-C4'-P energy: -43.344 tors. eta vs tors. theta energy: -49.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -920.556427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.556427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.556427 (E_RNA) where: Base-Base interactions energy: -524.323 where: short stacking energy: -252.129 Base-Backbone interact. energy: 0.487 local terms energy: -396.720409 where: bonds (distance) C4'-P energy: -98.301 bonds (distance) P-C4' energy: -107.920 flat angles C4'-P-C4' energy: -101.124 flat angles P-C4'-P energy: -67.423 tors. eta vs tors. theta energy: -21.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -677.898995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.898995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.898995 (E_RNA) where: Base-Base interactions energy: -355.850 where: short stacking energy: -185.457 Base-Backbone interact. energy: -1.107 local terms energy: -320.941220 where: bonds (distance) C4'-P energy: -99.820 bonds (distance) P-C4' energy: -102.095 flat angles C4'-P-C4' energy: -88.796 flat angles P-C4'-P energy: -20.985 tors. eta vs tors. theta energy: -9.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -504.790342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.790342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.790342 (E_RNA) where: Base-Base interactions energy: -191.335 where: short stacking energy: -133.381 Base-Backbone interact. energy: -1.156 local terms energy: -312.299226 where: bonds (distance) C4'-P energy: -105.212 bonds (distance) P-C4' energy: -116.364 flat angles C4'-P-C4' energy: -81.769 flat angles P-C4'-P energy: -50.096 tors. eta vs tors. theta energy: 41.142 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: 1, replica: 1 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2140.705376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.705376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.705376 (E_RNA) where: Base-Base interactions energy: -1501.685 where: short stacking energy: -576.438 Base-Backbone interact. energy: -4.315 local terms energy: -634.704742 where: bonds (distance) C4'-P energy: -109.480 bonds (distance) P-C4' energy: -129.088 flat angles C4'-P-C4' energy: -136.508 flat angles P-C4'-P energy: -96.559 tors. eta vs tors. theta energy: -163.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2099.931949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.931949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.931949 (E_RNA) where: Base-Base interactions energy: -1443.144 where: short stacking energy: -569.283 Base-Backbone interact. energy: -2.530 local terms energy: -654.257897 where: bonds (distance) C4'-P energy: -129.251 bonds (distance) P-C4' energy: -121.462 flat angles C4'-P-C4' energy: -137.273 flat angles P-C4'-P energy: -84.977 tors. eta vs tors. theta energy: -181.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1996.026287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.026287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.026287 (E_RNA) where: Base-Base interactions energy: -1372.332 where: short stacking energy: -560.578 Base-Backbone interact. energy: -0.130 local terms energy: -623.564444 where: bonds (distance) C4'-P energy: -108.022 bonds (distance) P-C4' energy: -120.913 flat angles C4'-P-C4' energy: -128.823 flat angles P-C4'-P energy: -84.857 tors. eta vs tors. theta energy: -180.950 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: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1821.486140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.486140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.486140 (E_RNA) where: Base-Base interactions energy: -1221.131 where: short stacking energy: -515.328 Base-Backbone interact. energy: -2.104 local terms energy: -598.251244 where: bonds (distance) C4'-P energy: -119.394 bonds (distance) P-C4' energy: -118.305 flat angles C4'-P-C4' energy: -131.763 flat angles P-C4'-P energy: -83.945 tors. eta vs tors. theta energy: -144.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1689.683088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.683088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.683088 (E_RNA) where: Base-Base interactions energy: -1128.477 where: short stacking energy: -516.399 Base-Backbone interact. energy: -0.792 local terms energy: -560.414549 where: bonds (distance) C4'-P energy: -106.709 bonds (distance) P-C4' energy: -98.603 flat angles C4'-P-C4' energy: -117.382 flat angles P-C4'-P energy: -84.578 tors. eta vs tors. theta energy: -153.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1455.072845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.072845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.072845 (E_RNA) where: Base-Base interactions energy: -950.358 where: short stacking energy: -386.377 Base-Backbone interact. energy: 1.555 local terms energy: -506.269801 where: bonds (distance) C4'-P energy: -108.880 bonds (distance) P-C4' energy: -110.582 flat angles C4'-P-C4' energy: -114.705 flat angles P-C4'-P energy: -66.066 tors. eta vs tors. theta energy: -106.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1062.356501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.356501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.356501 (E_RNA) where: Base-Base interactions energy: -641.025 where: short stacking energy: -310.541 Base-Backbone interact. energy: 1.260 local terms energy: -422.591497 where: bonds (distance) C4'-P energy: -103.519 bonds (distance) P-C4' energy: -109.595 flat angles C4'-P-C4' energy: -90.096 flat angles P-C4'-P energy: -59.622 tors. eta vs tors. theta energy: -59.760 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: 6 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -902.540494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.540494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.540494 (E_RNA) where: Base-Base interactions energy: -488.708 where: short stacking energy: -241.116 Base-Backbone interact. energy: -1.465 local terms energy: -412.367011 where: bonds (distance) C4'-P energy: -94.170 bonds (distance) P-C4' energy: -134.614 flat angles C4'-P-C4' energy: -97.709 flat angles P-C4'-P energy: -64.812 tors. eta vs tors. theta energy: -21.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -589.462712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.462712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.462712 (E_RNA) where: Base-Base interactions energy: -277.609 where: short stacking energy: -139.382 Base-Backbone interact. energy: -2.154 local terms energy: -309.700170 where: bonds (distance) C4'-P energy: -91.791 bonds (distance) P-C4' energy: -100.430 flat angles C4'-P-C4' energy: -74.083 flat angles P-C4'-P energy: -57.017 tors. eta vs tors. theta energy: 13.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -543.570538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.570538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.570538 (E_RNA) where: Base-Base interactions energy: -206.370 where: short stacking energy: -140.637 Base-Backbone interact. energy: -3.254 local terms energy: -333.946358 where: bonds (distance) C4'-P energy: -97.781 bonds (distance) P-C4' energy: -105.275 flat angles C4'-P-C4' energy: -78.945 flat angles P-C4'-P energy: -52.897 tors. eta vs tors. theta energy: 0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2163.079295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.079295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.079295 (E_RNA) where: Base-Base interactions energy: -1512.809 where: short stacking energy: -591.958 Base-Backbone interact. energy: -4.311 local terms energy: -645.959749 where: bonds (distance) C4'-P energy: -123.030 bonds (distance) P-C4' energy: -126.954 flat angles C4'-P-C4' energy: -142.557 flat angles P-C4'-P energy: -87.292 tors. eta vs tors. theta energy: -166.127 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: 7 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2102.460337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.460337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.460337 (E_RNA) where: Base-Base interactions energy: -1452.005 where: short stacking energy: -587.008 Base-Backbone interact. energy: -1.843 local terms energy: -648.612095 where: bonds (distance) C4'-P energy: -108.556 bonds (distance) P-C4' energy: -117.400 flat angles C4'-P-C4' energy: -146.193 flat angles P-C4'-P energy: -94.262 tors. eta vs tors. theta energy: -182.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1968.079273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.079273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.079273 (E_RNA) where: Base-Base interactions energy: -1337.723 where: short stacking energy: -560.050 Base-Backbone interact. energy: -2.393 local terms energy: -627.962677 where: bonds (distance) C4'-P energy: -114.279 bonds (distance) P-C4' energy: -118.375 flat angles C4'-P-C4' energy: -130.286 flat angles P-C4'-P energy: -91.818 tors. eta vs tors. theta energy: -173.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1811.145578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.145578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.145578 (E_RNA) where: Base-Base interactions energy: -1240.071 where: short stacking energy: -539.979 Base-Backbone interact. energy: -4.753 local terms energy: -566.321623 where: bonds (distance) C4'-P energy: -92.476 bonds (distance) P-C4' energy: -122.510 flat angles C4'-P-C4' energy: -127.871 flat angles P-C4'-P energy: -74.680 tors. eta vs tors. theta energy: -148.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1715.409437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.409437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.409437 (E_RNA) where: Base-Base interactions energy: -1121.771 where: short stacking energy: -495.027 Base-Backbone interact. energy: 2.521 local terms energy: -596.159175 where: bonds (distance) C4'-P energy: -133.462 bonds (distance) P-C4' energy: -111.642 flat angles C4'-P-C4' energy: -132.623 flat angles P-C4'-P energy: -66.113 tors. eta vs tors. theta energy: -152.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1417.340659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.340659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.340659 (E_RNA) where: Base-Base interactions energy: -930.329 where: short stacking energy: -388.566 Base-Backbone interact. energy: -1.013 local terms energy: -485.998756 where: bonds (distance) C4'-P energy: -92.934 bonds (distance) P-C4' energy: -102.851 flat angles C4'-P-C4' energy: -112.488 flat angles P-C4'-P energy: -77.043 tors. eta vs tors. theta energy: -100.682 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: 10 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1036.338279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.338279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.338279 (E_RNA) where: Base-Base interactions energy: -620.049 where: short stacking energy: -305.124 Base-Backbone interact. energy: -1.463 local terms energy: -414.826284 where: bonds (distance) C4'-P energy: -89.716 bonds (distance) P-C4' energy: -105.908 flat angles C4'-P-C4' energy: -108.333 flat angles P-C4'-P energy: -63.244 tors. eta vs tors. theta energy: -47.625 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: 8, replica: 6 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -877.272048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.272048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.272048 (E_RNA) where: Base-Base interactions energy: -501.366 where: short stacking energy: -243.491 Base-Backbone interact. energy: 0.662 local terms energy: -376.568342 where: bonds (distance) C4'-P energy: -107.589 bonds (distance) P-C4' energy: -90.586 flat angles C4'-P-C4' energy: -86.582 flat angles P-C4'-P energy: -65.689 tors. eta vs tors. theta energy: -26.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -554.197694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.197694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.197694 (E_RNA) where: Base-Base interactions energy: -236.385 where: short stacking energy: -144.033 Base-Backbone interact. energy: 4.034 local terms energy: -321.846298 where: bonds (distance) C4'-P energy: -97.862 bonds (distance) P-C4' energy: -107.321 flat angles C4'-P-C4' energy: -94.882 flat angles P-C4'-P energy: -40.894 tors. eta vs tors. theta energy: 19.113 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: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -569.919294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.919294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.919294 (E_RNA) where: Base-Base interactions energy: -248.211 where: short stacking energy: -157.192 Base-Backbone interact. energy: -4.029 local terms energy: -317.679307 where: bonds (distance) C4'-P energy: -77.566 bonds (distance) P-C4' energy: -106.593 flat angles C4'-P-C4' energy: -83.006 flat angles P-C4'-P energy: -54.573 tors. eta vs tors. theta energy: 4.058 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: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2162.345484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.345484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.345484 (E_RNA) where: Base-Base interactions energy: -1516.511 where: short stacking energy: -581.485 Base-Backbone interact. energy: -2.321 local terms energy: -643.513535 where: bonds (distance) C4'-P energy: -126.579 bonds (distance) P-C4' energy: -124.504 flat angles C4'-P-C4' energy: -133.357 flat angles P-C4'-P energy: -95.478 tors. eta vs tors. theta energy: -163.596 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: 7 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2029.198478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.198478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.198478 (E_RNA) where: Base-Base interactions energy: -1385.133 where: short stacking energy: -583.887 Base-Backbone interact. energy: -3.645 local terms energy: -640.419993 where: bonds (distance) C4'-P energy: -120.831 bonds (distance) P-C4' energy: -108.187 flat angles C4'-P-C4' energy: -130.726 flat angles P-C4'-P energy: -98.120 tors. eta vs tors. theta energy: -182.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1967.930282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.930282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.930282 (E_RNA) where: Base-Base interactions energy: -1360.701 where: short stacking energy: -558.216 Base-Backbone interact. energy: -0.975 local terms energy: -606.254266 where: bonds (distance) C4'-P energy: -114.548 bonds (distance) P-C4' energy: -103.995 flat angles C4'-P-C4' energy: -134.626 flat angles P-C4'-P energy: -80.957 tors. eta vs tors. theta energy: -172.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1787.653524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.653524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.653524 (E_RNA) where: Base-Base interactions energy: -1218.876 where: short stacking energy: -527.469 Base-Backbone interact. energy: -0.365 local terms energy: -568.412242 where: bonds (distance) C4'-P energy: -91.636 bonds (distance) P-C4' energy: -102.351 flat angles C4'-P-C4' energy: -143.321 flat angles P-C4'-P energy: -81.863 tors. eta vs tors. theta energy: -149.242 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: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1688.891849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.891849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.891849 (E_RNA) where: Base-Base interactions energy: -1125.334 where: short stacking energy: -477.309 Base-Backbone interact. energy: -0.338 local terms energy: -563.219158 where: bonds (distance) C4'-P energy: -114.588 bonds (distance) P-C4' energy: -104.836 flat angles C4'-P-C4' energy: -120.530 flat angles P-C4'-P energy: -83.945 tors. eta vs tors. theta energy: -139.320 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: 3 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1459.002248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.002248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.002248 (E_RNA) where: Base-Base interactions energy: -945.239 where: short stacking energy: -374.797 Base-Backbone interact. energy: 1.055 local terms energy: -514.817895 where: bonds (distance) C4'-P energy: -113.469 bonds (distance) P-C4' energy: -115.334 flat angles C4'-P-C4' energy: -111.561 flat angles P-C4'-P energy: -74.991 tors. eta vs tors. theta energy: -99.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1001.124715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.124715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.124715 (E_RNA) where: Base-Base interactions energy: -614.090 where: short stacking energy: -277.449 Base-Backbone interact. energy: 0.627 local terms energy: -387.661383 where: bonds (distance) C4'-P energy: -89.820 bonds (distance) P-C4' energy: -99.729 flat angles C4'-P-C4' energy: -97.206 flat angles P-C4'-P energy: -65.176 tors. eta vs tors. theta energy: -35.731 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: 6 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -854.605655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.605655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.605655 (E_RNA) where: Base-Base interactions energy: -509.286 where: short stacking energy: -267.156 Base-Backbone interact. energy: -1.539 local terms energy: -343.780375 where: bonds (distance) C4'-P energy: -86.246 bonds (distance) P-C4' energy: -90.873 flat angles C4'-P-C4' energy: -99.609 flat angles P-C4'-P energy: -39.024 tors. eta vs tors. theta energy: -28.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -545.225530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.225530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.225530 (E_RNA) where: Base-Base interactions energy: -220.849 where: short stacking energy: -151.825 Base-Backbone interact. energy: 0.248 local terms energy: -324.624911 where: bonds (distance) C4'-P energy: -101.526 bonds (distance) P-C4' energy: -113.784 flat angles C4'-P-C4' energy: -71.829 flat angles P-C4'-P energy: -39.098 tors. eta vs tors. theta energy: 1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -545.113176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.113176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.113176 (E_RNA) where: Base-Base interactions energy: -225.865 where: short stacking energy: -137.832 Base-Backbone interact. energy: -2.139 local terms energy: -317.108528 where: bonds (distance) C4'-P energy: -110.313 bonds (distance) P-C4' energy: -117.676 flat angles C4'-P-C4' energy: -78.312 flat angles P-C4'-P energy: -38.496 tors. eta vs tors. theta energy: 27.689 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: 1 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2164.032176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.032176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.032176 (E_RNA) where: Base-Base interactions energy: -1514.255 where: short stacking energy: -597.173 Base-Backbone interact. energy: -5.514 local terms energy: -644.263274 where: bonds (distance) C4'-P energy: -127.264 bonds (distance) P-C4' energy: -122.572 flat angles C4'-P-C4' energy: -131.593 flat angles P-C4'-P energy: -88.685 tors. eta vs tors. theta energy: -174.149 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: 7 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2094.028145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.028145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.028145 (E_RNA) where: Base-Base interactions energy: -1429.254 where: short stacking energy: -596.969 Base-Backbone interact. energy: 0.011 local terms energy: -664.785691 where: bonds (distance) C4'-P energy: -121.060 bonds (distance) P-C4' energy: -133.755 flat angles C4'-P-C4' energy: -133.676 flat angles P-C4'-P energy: -84.205 tors. eta vs tors. theta energy: -192.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1966.036459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.036459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.036459 (E_RNA) where: Base-Base interactions energy: -1348.445 where: short stacking energy: -543.655 Base-Backbone interact. energy: -0.594 local terms energy: -616.997415 where: bonds (distance) C4'-P energy: -111.468 bonds (distance) P-C4' energy: -117.112 flat angles C4'-P-C4' energy: -130.625 flat angles P-C4'-P energy: -91.687 tors. eta vs tors. theta energy: -166.105 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: 4, replica: 5 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1827.087732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.087732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.087732 (E_RNA) where: Base-Base interactions energy: -1231.903 where: short stacking energy: -505.778 Base-Backbone interact. energy: -3.324 local terms energy: -591.860920 where: bonds (distance) C4'-P energy: -115.155 bonds (distance) P-C4' energy: -119.940 flat angles C4'-P-C4' energy: -120.494 flat angles P-C4'-P energy: -80.706 tors. eta vs tors. theta energy: -155.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1693.583680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.583680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.583680 (E_RNA) where: Base-Base interactions energy: -1131.136 where: short stacking energy: -497.009 Base-Backbone interact. energy: -2.398 local terms energy: -560.049976 where: bonds (distance) C4'-P energy: -106.000 bonds (distance) P-C4' energy: -98.759 flat angles C4'-P-C4' energy: -113.200 flat angles P-C4'-P energy: -75.535 tors. eta vs tors. theta energy: -166.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1451.048763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.048763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.048763 (E_RNA) where: Base-Base interactions energy: -954.960 where: short stacking energy: -403.555 Base-Backbone interact. energy: -0.793 local terms energy: -495.295153 where: bonds (distance) C4'-P energy: -98.468 bonds (distance) P-C4' energy: -118.676 flat angles C4'-P-C4' energy: -123.729 flat angles P-C4'-P energy: -54.575 tors. eta vs tors. theta energy: -99.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1093.972824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.972824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.972824 (E_RNA) where: Base-Base interactions energy: -665.484 where: short stacking energy: -336.849 Base-Backbone interact. energy: -0.320 local terms energy: -428.168794 where: bonds (distance) C4'-P energy: -97.590 bonds (distance) P-C4' energy: -102.344 flat angles C4'-P-C4' energy: -105.924 flat angles P-C4'-P energy: -63.384 tors. eta vs tors. theta energy: -58.927 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: 6 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -911.154015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.154015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.154015 (E_RNA) where: Base-Base interactions energy: -507.029 where: short stacking energy: -255.697 Base-Backbone interact. energy: 0.849 local terms energy: -404.974528 where: bonds (distance) C4'-P energy: -101.864 bonds (distance) P-C4' energy: -105.933 flat angles C4'-P-C4' energy: -107.540 flat angles P-C4'-P energy: -60.953 tors. eta vs tors. theta energy: -28.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -628.389116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.389116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.389116 (E_RNA) where: Base-Base interactions energy: -275.084 where: short stacking energy: -186.240 Base-Backbone interact. energy: 2.371 local terms energy: -355.676661 where: bonds (distance) C4'-P energy: -108.241 bonds (distance) P-C4' energy: -105.502 flat angles C4'-P-C4' energy: -74.677 flat angles P-C4'-P energy: -62.338 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -549.974928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.974928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.974928 (E_RNA) where: Base-Base interactions energy: -226.877 where: short stacking energy: -175.166 Base-Backbone interact. energy: 0.239 local terms energy: -323.336720 where: bonds (distance) C4'-P energy: -99.389 bonds (distance) P-C4' energy: -101.476 flat angles C4'-P-C4' energy: -87.456 flat angles P-C4'-P energy: -38.040 tors. eta vs tors. theta energy: 3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2187.573121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.573121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.573121 (E_RNA) where: Base-Base interactions energy: -1549.540 where: short stacking energy: -598.694 Base-Backbone interact. energy: -1.042 local terms energy: -636.991086 where: bonds (distance) C4'-P energy: -116.647 bonds (distance) P-C4' energy: -121.511 flat angles C4'-P-C4' energy: -130.186 flat angles P-C4'-P energy: -96.601 tors. eta vs tors. theta energy: -172.045 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: 7 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2062.320430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.320430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.320430 (E_RNA) where: Base-Base interactions energy: -1423.559 where: short stacking energy: -579.216 Base-Backbone interact. energy: -4.988 local terms energy: -633.773853 where: bonds (distance) C4'-P energy: -121.628 bonds (distance) P-C4' energy: -119.915 flat angles C4'-P-C4' energy: -136.358 flat angles P-C4'-P energy: -71.711 tors. eta vs tors. theta energy: -184.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1925.857050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.857050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.857050 (E_RNA) where: Base-Base interactions energy: -1326.139 where: short stacking energy: -543.287 Base-Backbone interact. energy: 2.994 local terms energy: -602.712091 where: bonds (distance) C4'-P energy: -107.313 bonds (distance) P-C4' energy: -120.087 flat angles C4'-P-C4' energy: -129.247 flat angles P-C4'-P energy: -87.588 tors. eta vs tors. theta energy: -158.476 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: 5 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1831.436391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.436391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.436391 (E_RNA) where: Base-Base interactions energy: -1248.018 where: short stacking energy: -529.790 Base-Backbone interact. energy: -2.712 local terms energy: -580.705786 where: bonds (distance) C4'-P energy: -96.264 bonds (distance) P-C4' energy: -115.918 flat angles C4'-P-C4' energy: -130.297 flat angles P-C4'-P energy: -89.450 tors. eta vs tors. theta energy: -148.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1686.849854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.849854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.849854 (E_RNA) where: Base-Base interactions energy: -1110.646 where: short stacking energy: -470.960 Base-Backbone interact. energy: -1.218 local terms energy: -574.986467 where: bonds (distance) C4'-P energy: -117.089 bonds (distance) P-C4' energy: -107.508 flat angles C4'-P-C4' energy: -129.155 flat angles P-C4'-P energy: -85.522 tors. eta vs tors. theta energy: -135.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1385.178659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.178659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.178659 (E_RNA) where: Base-Base interactions energy: -924.350 where: short stacking energy: -376.594 Base-Backbone interact. energy: -2.491 local terms energy: -458.337755 where: bonds (distance) C4'-P energy: -93.614 bonds (distance) P-C4' energy: -110.247 flat angles C4'-P-C4' energy: -108.623 flat angles P-C4'-P energy: -49.903 tors. eta vs tors. theta energy: -95.950 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: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1168.872512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.872512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.872512 (E_RNA) where: Base-Base interactions energy: -724.370 where: short stacking energy: -319.581 Base-Backbone interact. energy: 1.686 local terms energy: -446.188572 where: bonds (distance) C4'-P energy: -95.422 bonds (distance) P-C4' energy: -113.255 flat angles C4'-P-C4' energy: -110.041 flat angles P-C4'-P energy: -68.462 tors. eta vs tors. theta energy: -59.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -939.186131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.186131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.186131 (E_RNA) where: Base-Base interactions energy: -545.481 where: short stacking energy: -275.984 Base-Backbone interact. energy: 0.228 local terms energy: -393.932516 where: bonds (distance) C4'-P energy: -115.181 bonds (distance) P-C4' energy: -99.431 flat angles C4'-P-C4' energy: -97.139 flat angles P-C4'-P energy: -54.784 tors. eta vs tors. theta energy: -27.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -594.248614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.248614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.248614 (E_RNA) where: Base-Base interactions energy: -262.094 where: short stacking energy: -168.431 Base-Backbone interact. energy: -3.667 local terms energy: -328.487272 where: bonds (distance) C4'-P energy: -103.850 bonds (distance) P-C4' energy: -104.343 flat angles C4'-P-C4' energy: -73.781 flat angles P-C4'-P energy: -58.580 tors. eta vs tors. theta energy: 12.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -487.345491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.345491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.345491 (E_RNA) where: Base-Base interactions energy: -179.598 where: short stacking energy: -138.184 Base-Backbone interact. energy: -2.784 local terms energy: -304.963540 where: bonds (distance) C4'-P energy: -89.447 bonds (distance) P-C4' energy: -95.665 flat angles C4'-P-C4' energy: -92.081 flat angles P-C4'-P energy: -51.658 tors. eta vs tors. theta energy: 23.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2195.254538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.254538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.254538 (E_RNA) where: Base-Base interactions energy: -1553.045 where: short stacking energy: -611.636 Base-Backbone interact. energy: -2.623 local terms energy: -639.585989 where: bonds (distance) C4'-P energy: -110.794 bonds (distance) P-C4' energy: -110.720 flat angles C4'-P-C4' energy: -135.499 flat angles P-C4'-P energy: -97.160 tors. eta vs tors. theta energy: -185.414 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: 7 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2076.096519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.096519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.096519 (E_RNA) where: Base-Base interactions energy: -1414.009 where: short stacking energy: -577.704 Base-Backbone interact. energy: -5.163 local terms energy: -656.925237 where: bonds (distance) C4'-P energy: -123.087 bonds (distance) P-C4' energy: -113.900 flat angles C4'-P-C4' energy: -150.211 flat angles P-C4'-P energy: -89.732 tors. eta vs tors. theta energy: -179.995 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: 4 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1919.261077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.261077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.261077 (E_RNA) where: Base-Base interactions energy: -1289.541 where: short stacking energy: -552.697 Base-Backbone interact. energy: 0.138 local terms energy: -629.858114 where: bonds (distance) C4'-P energy: -115.854 bonds (distance) P-C4' energy: -129.876 flat angles C4'-P-C4' energy: -119.616 flat angles P-C4'-P energy: -94.593 tors. eta vs tors. theta energy: -169.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1808.703735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.703735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.703735 (E_RNA) where: Base-Base interactions energy: -1223.704 where: short stacking energy: -517.816 Base-Backbone interact. energy: 2.828 local terms energy: -587.827200 where: bonds (distance) C4'-P energy: -105.929 bonds (distance) P-C4' energy: -107.893 flat angles C4'-P-C4' energy: -128.468 flat angles P-C4'-P energy: -87.706 tors. eta vs tors. theta energy: -157.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1605.789641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.789641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.789641 (E_RNA) where: Base-Base interactions energy: -1079.392 where: short stacking energy: -458.865 Base-Backbone interact. energy: -2.846 local terms energy: -523.552281 where: bonds (distance) C4'-P energy: -117.311 bonds (distance) P-C4' energy: -104.240 flat angles C4'-P-C4' energy: -119.057 flat angles P-C4'-P energy: -65.173 tors. eta vs tors. theta energy: -117.770 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: 3 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1333.617389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.617389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.617389 (E_RNA) where: Base-Base interactions energy: -838.787 where: short stacking energy: -368.110 Base-Backbone interact. energy: -2.713 local terms energy: -492.117001 where: bonds (distance) C4'-P energy: -109.878 bonds (distance) P-C4' energy: -105.702 flat angles C4'-P-C4' energy: -122.610 flat angles P-C4'-P energy: -73.553 tors. eta vs tors. theta energy: -80.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1143.652048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.652048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.652048 (E_RNA) where: Base-Base interactions energy: -687.537 where: short stacking energy: -323.071 Base-Backbone interact. energy: -1.963 local terms energy: -454.152033 where: bonds (distance) C4'-P energy: -110.519 bonds (distance) P-C4' energy: -115.418 flat angles C4'-P-C4' energy: -103.402 flat angles P-C4'-P energy: -64.093 tors. eta vs tors. theta energy: -60.720 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: 6 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -942.647817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.647817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.647817 (E_RNA) where: Base-Base interactions energy: -563.569 where: short stacking energy: -289.588 Base-Backbone interact. energy: 2.011 local terms energy: -381.089718 where: bonds (distance) C4'-P energy: -81.887 bonds (distance) P-C4' energy: -124.168 flat angles C4'-P-C4' energy: -100.416 flat angles P-C4'-P energy: -37.817 tors. eta vs tors. theta energy: -36.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -597.346249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.346249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.346249 (E_RNA) where: Base-Base interactions energy: -278.410 where: short stacking energy: -180.532 Base-Backbone interact. energy: 4.405 local terms energy: -323.341514 where: bonds (distance) C4'-P energy: -92.861 bonds (distance) P-C4' energy: -104.304 flat angles C4'-P-C4' energy: -86.420 flat angles P-C4'-P energy: -37.355 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: 9 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -465.343017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.343017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.343017 (E_RNA) where: Base-Base interactions energy: -153.217 where: short stacking energy: -114.860 Base-Backbone interact. energy: -1.290 local terms energy: -310.835950 where: bonds (distance) C4'-P energy: -104.888 bonds (distance) P-C4' energy: -105.671 flat angles C4'-P-C4' energy: -64.411 flat angles P-C4'-P energy: -53.143 tors. eta vs tors. theta energy: 17.277 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: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2170.903665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.903665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.903665 (E_RNA) where: Base-Base interactions energy: -1525.299 where: short stacking energy: -588.890 Base-Backbone interact. energy: -2.065 local terms energy: -643.539872 where: bonds (distance) C4'-P energy: -127.596 bonds (distance) P-C4' energy: -123.373 flat angles C4'-P-C4' energy: -137.372 flat angles P-C4'-P energy: -84.033 tors. eta vs tors. theta energy: -171.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2018.983281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.983281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.983281 (E_RNA) where: Base-Base interactions energy: -1374.411 where: short stacking energy: -559.622 Base-Backbone interact. energy: -1.705 local terms energy: -642.867750 where: bonds (distance) C4'-P energy: -110.417 bonds (distance) P-C4' energy: -132.302 flat angles C4'-P-C4' energy: -132.531 flat angles P-C4'-P energy: -88.712 tors. eta vs tors. theta energy: -178.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1977.077580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.077580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.077580 (E_RNA) where: Base-Base interactions energy: -1316.324 where: short stacking energy: -547.153 Base-Backbone interact. energy: -5.108 local terms energy: -655.645441 where: bonds (distance) C4'-P energy: -124.665 bonds (distance) P-C4' energy: -128.646 flat angles C4'-P-C4' energy: -144.069 flat angles P-C4'-P energy: -80.383 tors. eta vs tors. theta energy: -177.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1822.431788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.431788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.431788 (E_RNA) where: Base-Base interactions energy: -1232.045 where: short stacking energy: -539.836 Base-Backbone interact. energy: -1.988 local terms energy: -588.398174 where: bonds (distance) C4'-P energy: -102.660 bonds (distance) P-C4' energy: -112.823 flat angles C4'-P-C4' energy: -122.989 flat angles P-C4'-P energy: -86.584 tors. eta vs tors. theta energy: -163.342 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: 333 Temperature: 1.100000 Total energy: -1694.272076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.272076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.272076 (E_RNA) where: Base-Base interactions energy: -1121.167 where: short stacking energy: -495.937 Base-Backbone interact. energy: -1.410 local terms energy: -571.694872 where: bonds (distance) C4'-P energy: -110.233 bonds (distance) P-C4' energy: -109.817 flat angles C4'-P-C4' energy: -116.484 flat angles P-C4'-P energy: -78.209 tors. eta vs tors. theta energy: -156.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1389.246406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.246406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.246406 (E_RNA) where: Base-Base interactions energy: -906.833 where: short stacking energy: -377.054 Base-Backbone interact. energy: -2.383 local terms energy: -480.030472 where: bonds (distance) C4'-P energy: -114.413 bonds (distance) P-C4' energy: -104.365 flat angles C4'-P-C4' energy: -111.036 flat angles P-C4'-P energy: -65.890 tors. eta vs tors. theta energy: -84.326 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: 10 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1108.143017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.143017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.143017 (E_RNA) where: Base-Base interactions energy: -705.548 where: short stacking energy: -312.423 Base-Backbone interact. energy: -0.890 local terms energy: -401.704652 where: bonds (distance) C4'-P energy: -92.129 bonds (distance) P-C4' energy: -101.792 flat angles C4'-P-C4' energy: -97.049 flat angles P-C4'-P energy: -62.032 tors. eta vs tors. theta energy: -48.702 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: 6 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1005.766650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.766650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.766650 (E_RNA) where: Base-Base interactions energy: -578.094 where: short stacking energy: -259.125 Base-Backbone interact. energy: -1.981 local terms energy: -425.691672 where: bonds (distance) C4'-P energy: -109.578 bonds (distance) P-C4' energy: -116.391 flat angles C4'-P-C4' energy: -98.552 flat angles P-C4'-P energy: -55.444 tors. eta vs tors. theta energy: -45.726 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: 8 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -581.982979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.982979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.982979 (E_RNA) where: Base-Base interactions energy: -239.915 where: short stacking energy: -159.708 Base-Backbone interact. energy: 1.182 local terms energy: -343.249755 where: bonds (distance) C4'-P energy: -106.379 bonds (distance) P-C4' energy: -102.891 flat angles C4'-P-C4' energy: -87.597 flat angles P-C4'-P energy: -58.296 tors. eta vs tors. theta energy: 11.913 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: 10, replica: 9 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -494.887027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.887027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.887027 (E_RNA) where: Base-Base interactions energy: -171.262 where: short stacking energy: -157.290 Base-Backbone interact. energy: 0.849 local terms energy: -324.474228 where: bonds (distance) C4'-P energy: -112.611 bonds (distance) P-C4' energy: -92.788 flat angles C4'-P-C4' energy: -76.237 flat angles P-C4'-P energy: -57.195 tors. eta vs tors. theta energy: 14.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2172.255319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.255319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.255319 (E_RNA) where: Base-Base interactions energy: -1516.329 where: short stacking energy: -602.896 Base-Backbone interact. energy: -4.065 local terms energy: -651.861326 where: bonds (distance) C4'-P energy: -126.701 bonds (distance) P-C4' energy: -110.016 flat angles C4'-P-C4' energy: -147.631 flat angles P-C4'-P energy: -98.248 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: 2, replica: 7 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2031.851664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.851664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.851664 (E_RNA) where: Base-Base interactions energy: -1390.754 where: short stacking energy: -536.758 Base-Backbone interact. energy: -7.028 local terms energy: -634.069747 where: bonds (distance) C4'-P energy: -126.532 bonds (distance) P-C4' energy: -113.527 flat angles C4'-P-C4' energy: -130.301 flat angles P-C4'-P energy: -93.498 tors. eta vs tors. theta energy: -170.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1956.642457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.642457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.642457 (E_RNA) where: Base-Base interactions energy: -1326.793 where: short stacking energy: -555.212 Base-Backbone interact. energy: -3.356 local terms energy: -626.493612 where: bonds (distance) C4'-P energy: -109.487 bonds (distance) P-C4' energy: -112.818 flat angles C4'-P-C4' energy: -130.907 flat angles P-C4'-P energy: -87.356 tors. eta vs tors. theta energy: -185.926 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: 5 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1773.151252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.151252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.151252 (E_RNA) where: Base-Base interactions energy: -1199.865 where: short stacking energy: -490.909 Base-Backbone interact. energy: -2.643 local terms energy: -570.643888 where: bonds (distance) C4'-P energy: -111.308 bonds (distance) P-C4' energy: -130.920 flat angles C4'-P-C4' energy: -123.852 flat angles P-C4'-P energy: -70.463 tors. eta vs tors. theta energy: -134.102 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: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1705.545106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.545106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.545106 (E_RNA) where: Base-Base interactions energy: -1131.143 where: short stacking energy: -497.631 Base-Backbone interact. energy: -1.702 local terms energy: -572.700471 where: bonds (distance) C4'-P energy: -110.880 bonds (distance) P-C4' energy: -110.206 flat angles C4'-P-C4' energy: -121.694 flat angles P-C4'-P energy: -83.203 tors. eta vs tors. theta energy: -146.717 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: 3 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1329.174206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.174206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.174206 (E_RNA) where: Base-Base interactions energy: -852.616 where: short stacking energy: -389.148 Base-Backbone interact. energy: -3.155 local terms energy: -473.403110 where: bonds (distance) C4'-P energy: -94.603 bonds (distance) P-C4' energy: -95.291 flat angles C4'-P-C4' energy: -108.214 flat angles P-C4'-P energy: -66.655 tors. eta vs tors. theta energy: -108.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1109.467626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.467626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.467626 (E_RNA) where: Base-Base interactions energy: -664.324 where: short stacking energy: -320.031 Base-Backbone interact. energy: 3.024 local terms energy: -448.167249 where: bonds (distance) C4'-P energy: -103.545 bonds (distance) P-C4' energy: -110.106 flat angles C4'-P-C4' energy: -111.955 flat angles P-C4'-P energy: -52.171 tors. eta vs tors. theta energy: -70.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -973.905835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.905835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.905835 (E_RNA) where: Base-Base interactions energy: -570.738 where: short stacking energy: -275.748 Base-Backbone interact. energy: 0.623 local terms energy: -403.790795 where: bonds (distance) C4'-P energy: -116.058 bonds (distance) P-C4' energy: -103.722 flat angles C4'-P-C4' energy: -93.754 flat angles P-C4'-P energy: -67.499 tors. eta vs tors. theta energy: -22.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -524.874681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.874681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.874681 (E_RNA) where: Base-Base interactions energy: -203.277 where: short stacking energy: -158.117 Base-Backbone interact. energy: -2.351 local terms energy: -319.246415 where: bonds (distance) C4'-P energy: -109.009 bonds (distance) P-C4' energy: -97.888 flat angles C4'-P-C4' energy: -83.955 flat angles P-C4'-P energy: -36.681 tors. eta vs tors. theta energy: 8.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -561.299406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.299406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.299406 (E_RNA) where: Base-Base interactions energy: -244.445 where: short stacking energy: -164.680 Base-Backbone interact. energy: 4.901 local terms energy: -321.755380 where: bonds (distance) C4'-P energy: -94.236 bonds (distance) P-C4' energy: -113.990 flat angles C4'-P-C4' energy: -92.045 flat angles P-C4'-P energy: -58.227 tors. eta vs tors. theta energy: 36.742 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: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2165.017030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.017030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.017030 (E_RNA) where: Base-Base interactions energy: -1505.435 where: short stacking energy: -590.934 Base-Backbone interact. energy: -1.312 local terms energy: -658.269281 where: bonds (distance) C4'-P energy: -124.189 bonds (distance) P-C4' energy: -121.261 flat angles C4'-P-C4' energy: -143.370 flat angles P-C4'-P energy: -101.587 tors. eta vs tors. theta energy: -167.864 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: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2035.117200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.117200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.117200 (E_RNA) where: Base-Base interactions energy: -1397.351 where: short stacking energy: -576.426 Base-Backbone interact. energy: -3.027 local terms energy: -634.739802 where: bonds (distance) C4'-P energy: -114.566 bonds (distance) P-C4' energy: -121.785 flat angles C4'-P-C4' energy: -132.529 flat angles P-C4'-P energy: -93.668 tors. eta vs tors. theta energy: -172.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1973.609128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.609128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.609128 (E_RNA) where: Base-Base interactions energy: -1362.934 where: short stacking energy: -575.573 Base-Backbone interact. energy: -1.945 local terms energy: -608.730625 where: bonds (distance) C4'-P energy: -111.912 bonds (distance) P-C4' energy: -122.150 flat angles C4'-P-C4' energy: -116.296 flat angles P-C4'-P energy: -80.768 tors. eta vs tors. theta energy: -177.605 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: 5 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1774.383078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.383078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.383078 (E_RNA) where: Base-Base interactions energy: -1202.302 where: short stacking energy: -500.253 Base-Backbone interact. energy: -2.250 local terms energy: -569.830747 where: bonds (distance) C4'-P energy: -97.012 bonds (distance) P-C4' energy: -131.139 flat angles C4'-P-C4' energy: -112.413 flat angles P-C4'-P energy: -82.662 tors. eta vs tors. theta energy: -146.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1708.972560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.972560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.972560 (E_RNA) where: Base-Base interactions energy: -1127.042 where: short stacking energy: -475.725 Base-Backbone interact. energy: -2.646 local terms energy: -579.284813 where: bonds (distance) C4'-P energy: -101.421 bonds (distance) P-C4' energy: -119.966 flat angles C4'-P-C4' energy: -134.465 flat angles P-C4'-P energy: -74.058 tors. eta vs tors. theta energy: -149.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1363.088429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.088429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.088429 (E_RNA) where: Base-Base interactions energy: -877.373 where: short stacking energy: -404.683 Base-Backbone interact. energy: -3.176 local terms energy: -482.539922 where: bonds (distance) C4'-P energy: -103.606 bonds (distance) P-C4' energy: -105.220 flat angles C4'-P-C4' energy: -103.557 flat angles P-C4'-P energy: -71.937 tors. eta vs tors. theta energy: -98.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1125.727008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.727008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.727008 (E_RNA) where: Base-Base interactions energy: -668.434 where: short stacking energy: -304.762 Base-Backbone interact. energy: -2.531 local terms energy: -454.762256 where: bonds (distance) C4'-P energy: -113.180 bonds (distance) P-C4' energy: -120.996 flat angles C4'-P-C4' energy: -100.267 flat angles P-C4'-P energy: -78.744 tors. eta vs tors. theta energy: -41.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -989.184460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.184460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.184460 (E_RNA) where: Base-Base interactions energy: -572.285 where: short stacking energy: -290.724 Base-Backbone interact. energy: -3.664 local terms energy: -413.235568 where: bonds (distance) C4'-P energy: -84.116 bonds (distance) P-C4' energy: -101.208 flat angles C4'-P-C4' energy: -108.514 flat angles P-C4'-P energy: -62.006 tors. eta vs tors. theta energy: -57.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -528.811009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.811009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.811009 (E_RNA) where: Base-Base interactions energy: -171.457 where: short stacking energy: -137.489 Base-Backbone interact. energy: 6.425 local terms energy: -363.778882 where: bonds (distance) C4'-P energy: -110.729 bonds (distance) P-C4' energy: -125.481 flat angles C4'-P-C4' energy: -71.923 flat angles P-C4'-P energy: -68.613 tors. eta vs tors. theta energy: 12.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -554.308018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.308018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.308018 (E_RNA) where: Base-Base interactions energy: -229.463 where: short stacking energy: -155.704 Base-Backbone interact. energy: 2.158 local terms energy: -327.002789 where: bonds (distance) C4'-P energy: -96.369 bonds (distance) P-C4' energy: -102.339 flat angles C4'-P-C4' energy: -88.501 flat angles P-C4'-P energy: -48.920 tors. eta vs tors. theta energy: 9.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2199.404925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.404925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.404925 (E_RNA) where: Base-Base interactions energy: -1562.771 where: short stacking energy: -610.848 Base-Backbone interact. energy: 0.685 local terms energy: -637.319467 where: bonds (distance) C4'-P energy: -116.548 bonds (distance) P-C4' energy: -119.967 flat angles C4'-P-C4' energy: -134.274 flat angles P-C4'-P energy: -95.158 tors. eta vs tors. theta energy: -171.372 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: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2048.835869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.835869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.835869 (E_RNA) where: Base-Base interactions energy: -1383.058 where: short stacking energy: -571.087 Base-Backbone interact. energy: -4.655 local terms energy: -661.122496 where: bonds (distance) C4'-P energy: -117.744 bonds (distance) P-C4' energy: -126.894 flat angles C4'-P-C4' energy: -139.792 flat angles P-C4'-P energy: -90.536 tors. eta vs tors. theta energy: -186.156 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: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1959.393030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.393030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.393030 (E_RNA) where: Base-Base interactions energy: -1332.453 where: short stacking energy: -566.890 Base-Backbone interact. energy: -1.012 local terms energy: -625.928935 where: bonds (distance) C4'-P energy: -117.455 bonds (distance) P-C4' energy: -123.477 flat angles C4'-P-C4' energy: -129.365 flat angles P-C4'-P energy: -85.996 tors. eta vs tors. theta energy: -169.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1812.491997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.491997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.491997 (E_RNA) where: Base-Base interactions energy: -1229.822 where: short stacking energy: -530.722 Base-Backbone interact. energy: 0.345 local terms energy: -583.014952 where: bonds (distance) C4'-P energy: -111.740 bonds (distance) P-C4' energy: -99.984 flat angles C4'-P-C4' energy: -126.143 flat angles P-C4'-P energy: -89.856 tors. eta vs tors. theta energy: -155.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1685.127418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.127418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.127418 (E_RNA) where: Base-Base interactions energy: -1124.352 where: short stacking energy: -490.953 Base-Backbone interact. energy: -0.976 local terms energy: -559.799871 where: bonds (distance) C4'-P energy: -111.680 bonds (distance) P-C4' energy: -114.590 flat angles C4'-P-C4' energy: -121.643 flat angles P-C4'-P energy: -70.199 tors. eta vs tors. theta energy: -141.687 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: 6, replica: 3 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1343.576896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.576896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.576896 (E_RNA) where: Base-Base interactions energy: -837.522 where: short stacking energy: -390.019 Base-Backbone interact. energy: -2.020 local terms energy: -504.034127 where: bonds (distance) C4'-P energy: -104.403 bonds (distance) P-C4' energy: -110.910 flat angles C4'-P-C4' energy: -110.376 flat angles P-C4'-P energy: -73.923 tors. eta vs tors. theta energy: -104.423 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: 7, replica: 10 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1156.599737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.599737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.599737 (E_RNA) where: Base-Base interactions energy: -701.845 where: short stacking energy: -321.335 Base-Backbone interact. energy: 3.817 local terms energy: -458.571879 where: bonds (distance) C4'-P energy: -109.410 bonds (distance) P-C4' energy: -109.009 flat angles C4'-P-C4' energy: -107.993 flat angles P-C4'-P energy: -66.436 tors. eta vs tors. theta energy: -65.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -971.954250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.954250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.954250 (E_RNA) where: Base-Base interactions energy: -585.891 where: short stacking energy: -263.847 Base-Backbone interact. energy: 0.474 local terms energy: -386.537144 where: bonds (distance) C4'-P energy: -74.138 bonds (distance) P-C4' energy: -118.620 flat angles C4'-P-C4' energy: -107.965 flat angles P-C4'-P energy: -57.095 tors. eta vs tors. theta energy: -28.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -610.319788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.319788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.319788 (E_RNA) where: Base-Base interactions energy: -270.336 where: short stacking energy: -150.244 Base-Backbone interact. energy: -2.742 local terms energy: -337.241744 where: bonds (distance) C4'-P energy: -81.124 bonds (distance) P-C4' energy: -95.591 flat angles C4'-P-C4' energy: -106.211 flat angles P-C4'-P energy: -64.724 tors. eta vs tors. theta energy: 10.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -453.451976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.451976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.451976 (E_RNA) where: Base-Base interactions energy: -152.883 where: short stacking energy: -107.835 Base-Backbone interact. energy: 5.784 local terms energy: -306.353237 where: bonds (distance) C4'-P energy: -109.224 bonds (distance) P-C4' energy: -88.951 flat angles C4'-P-C4' energy: -90.491 flat angles P-C4'-P energy: -42.027 tors. eta vs tors. theta energy: 24.339 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: 1 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2173.444193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.444193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.444193 (E_RNA) where: Base-Base interactions energy: -1539.814 where: short stacking energy: -593.466 Base-Backbone interact. energy: -1.734 local terms energy: -631.896257 where: bonds (distance) C4'-P energy: -110.913 bonds (distance) P-C4' energy: -133.422 flat angles C4'-P-C4' energy: -139.178 flat angles P-C4'-P energy: -84.260 tors. eta vs tors. theta energy: -164.123 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: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2011.999842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.999842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.999842 (E_RNA) where: Base-Base interactions energy: -1395.828 where: short stacking energy: -562.451 Base-Backbone interact. energy: -2.638 local terms energy: -613.533663 where: bonds (distance) C4'-P energy: -109.855 bonds (distance) P-C4' energy: -116.823 flat angles C4'-P-C4' energy: -127.632 flat angles P-C4'-P energy: -93.328 tors. eta vs tors. theta energy: -165.895 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: 4 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1978.698090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.698090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.698090 (E_RNA) where: Base-Base interactions energy: -1340.125 where: short stacking energy: -581.424 Base-Backbone interact. energy: -2.916 local terms energy: -635.657612 where: bonds (distance) C4'-P energy: -128.064 bonds (distance) P-C4' energy: -113.013 flat angles C4'-P-C4' energy: -128.584 flat angles P-C4'-P energy: -83.762 tors. eta vs tors. theta energy: -182.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1784.672900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.672900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.672900 (E_RNA) where: Base-Base interactions energy: -1241.873 where: short stacking energy: -513.265 Base-Backbone interact. energy: 0.470 local terms energy: -543.270112 where: bonds (distance) C4'-P energy: -89.075 bonds (distance) P-C4' energy: -115.669 flat angles C4'-P-C4' energy: -132.754 flat angles P-C4'-P energy: -66.812 tors. eta vs tors. theta energy: -138.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1677.272353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.272353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.272353 (E_RNA) where: Base-Base interactions energy: -1143.662 where: short stacking energy: -496.399 Base-Backbone interact. energy: -1.330 local terms energy: -532.280340 where: bonds (distance) C4'-P energy: -101.645 bonds (distance) P-C4' energy: -104.261 flat angles C4'-P-C4' energy: -105.263 flat angles P-C4'-P energy: -69.587 tors. eta vs tors. theta energy: -151.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1335.988084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.988084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.988084 (E_RNA) where: Base-Base interactions energy: -850.908 where: short stacking energy: -349.245 Base-Backbone interact. energy: 3.974 local terms energy: -489.053954 where: bonds (distance) C4'-P energy: -111.273 bonds (distance) P-C4' energy: -118.200 flat angles C4'-P-C4' energy: -111.162 flat angles P-C4'-P energy: -77.308 tors. eta vs tors. theta energy: -71.111 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: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1188.759411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.759411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.759411 (E_RNA) where: Base-Base interactions energy: -737.611 where: short stacking energy: -348.264 Base-Backbone interact. energy: -0.278 local terms energy: -450.869812 where: bonds (distance) C4'-P energy: -98.988 bonds (distance) P-C4' energy: -105.470 flat angles C4'-P-C4' energy: -100.160 flat angles P-C4'-P energy: -59.509 tors. eta vs tors. theta energy: -86.742 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: 8, replica: 6 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -953.039021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.039021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.039021 (E_RNA) where: Base-Base interactions energy: -556.813 where: short stacking energy: -254.878 Base-Backbone interact. energy: -0.770 local terms energy: -395.455199 where: bonds (distance) C4'-P energy: -96.151 bonds (distance) P-C4' energy: -118.384 flat angles C4'-P-C4' energy: -104.021 flat angles P-C4'-P energy: -54.304 tors. eta vs tors. theta energy: -22.595 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: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -621.709196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.709196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.709196 (E_RNA) where: Base-Base interactions energy: -293.558 where: short stacking energy: -179.847 Base-Backbone interact. energy: 0.368 local terms energy: -328.518732 where: bonds (distance) C4'-P energy: -99.221 bonds (distance) P-C4' energy: -98.914 flat angles C4'-P-C4' energy: -77.860 flat angles P-C4'-P energy: -57.168 tors. eta vs tors. theta energy: 4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -460.159983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.159983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.159983 (E_RNA) where: Base-Base interactions energy: -148.212 where: short stacking energy: -115.234 Base-Backbone interact. energy: -3.812 local terms energy: -308.135547 where: bonds (distance) C4'-P energy: -111.695 bonds (distance) P-C4' energy: -104.778 flat angles C4'-P-C4' energy: -88.346 flat angles P-C4'-P energy: -35.247 tors. eta vs tors. theta energy: 31.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2178.290083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.290083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.290083 (E_RNA) where: Base-Base interactions energy: -1503.616 where: short stacking energy: -613.947 Base-Backbone interact. energy: -2.691 local terms energy: -671.982238 where: bonds (distance) C4'-P energy: -125.171 bonds (distance) P-C4' energy: -122.691 flat angles C4'-P-C4' energy: -145.746 flat angles P-C4'-P energy: -96.323 tors. eta vs tors. theta energy: -182.051 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: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2038.320288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.320288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.320288 (E_RNA) where: Base-Base interactions energy: -1386.529 where: short stacking energy: -571.607 Base-Backbone interact. energy: -4.325 local terms energy: -647.466509 where: bonds (distance) C4'-P energy: -121.301 bonds (distance) P-C4' energy: -110.289 flat angles C4'-P-C4' energy: -131.995 flat angles P-C4'-P energy: -104.589 tors. eta vs tors. theta energy: -179.292 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: 4 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1997.238897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.238897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.238897 (E_RNA) where: Base-Base interactions energy: -1376.614 where: short stacking energy: -556.714 Base-Backbone interact. energy: 2.174 local terms energy: -622.798575 where: bonds (distance) C4'-P energy: -96.836 bonds (distance) P-C4' energy: -112.514 flat angles C4'-P-C4' energy: -136.350 flat angles P-C4'-P energy: -89.087 tors. eta vs tors. theta energy: -188.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1757.953207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.953207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.953207 (E_RNA) where: Base-Base interactions energy: -1198.156 where: short stacking energy: -487.393 Base-Backbone interact. energy: -1.792 local terms energy: -558.006045 where: bonds (distance) C4'-P energy: -100.852 bonds (distance) P-C4' energy: -119.633 flat angles C4'-P-C4' energy: -129.236 flat angles P-C4'-P energy: -83.599 tors. eta vs tors. theta energy: -124.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1709.314538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.314538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.314538 (E_RNA) where: Base-Base interactions energy: -1143.073 where: short stacking energy: -488.864 Base-Backbone interact. energy: -1.447 local terms energy: -564.794537 where: bonds (distance) C4'-P energy: -103.766 bonds (distance) P-C4' energy: -106.169 flat angles C4'-P-C4' energy: -121.742 flat angles P-C4'-P energy: -82.195 tors. eta vs tors. theta energy: -150.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1279.441441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.441441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.441441 (E_RNA) where: Base-Base interactions energy: -780.865 where: short stacking energy: -337.480 Base-Backbone interact. energy: 1.073 local terms energy: -499.649633 where: bonds (distance) C4'-P energy: -117.197 bonds (distance) P-C4' energy: -124.413 flat angles C4'-P-C4' energy: -115.143 flat angles P-C4'-P energy: -56.429 tors. eta vs tors. theta energy: -86.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1147.862169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.862169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.862169 (E_RNA) where: Base-Base interactions energy: -694.686 where: short stacking energy: -302.491 Base-Backbone interact. energy: -1.798 local terms energy: -451.378408 where: bonds (distance) C4'-P energy: -113.630 bonds (distance) P-C4' energy: -116.848 flat angles C4'-P-C4' energy: -114.445 flat angles P-C4'-P energy: -61.041 tors. eta vs tors. theta energy: -45.415 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: 6 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -970.470926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.470926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.470926 (E_RNA) where: Base-Base interactions energy: -579.780 where: short stacking energy: -274.437 Base-Backbone interact. energy: -1.431 local terms energy: -389.259999 where: bonds (distance) C4'-P energy: -95.381 bonds (distance) P-C4' energy: -103.151 flat angles C4'-P-C4' energy: -105.604 flat angles P-C4'-P energy: -52.707 tors. eta vs tors. theta energy: -32.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -634.547572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.547572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.547572 (E_RNA) where: Base-Base interactions energy: -293.374 where: short stacking energy: -198.908 Base-Backbone interact. energy: 2.643 local terms energy: -343.816919 where: bonds (distance) C4'-P energy: -75.270 bonds (distance) P-C4' energy: -107.285 flat angles C4'-P-C4' energy: -90.216 flat angles P-C4'-P energy: -53.463 tors. eta vs tors. theta energy: -17.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -486.965866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.965866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.965866 (E_RNA) where: Base-Base interactions energy: -168.588 where: short stacking energy: -138.118 Base-Backbone interact. energy: 0.568 local terms energy: -318.946244 where: bonds (distance) C4'-P energy: -94.440 bonds (distance) P-C4' energy: -99.986 flat angles C4'-P-C4' energy: -86.379 flat angles P-C4'-P energy: -51.202 tors. eta vs tors. theta energy: 13.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2167.040986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.040986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.040986 (E_RNA) where: Base-Base interactions energy: -1500.354 where: short stacking energy: -621.791 Base-Backbone interact. energy: -2.728 local terms energy: -663.959098 where: bonds (distance) C4'-P energy: -113.249 bonds (distance) P-C4' energy: -124.454 flat angles C4'-P-C4' energy: -139.059 flat angles P-C4'-P energy: -108.363 tors. eta vs tors. theta energy: -178.834 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: 7 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2049.597335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.597335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.597335 (E_RNA) where: Base-Base interactions energy: -1441.388 where: short stacking energy: -562.676 Base-Backbone interact. energy: -4.544 local terms energy: -603.665039 where: bonds (distance) C4'-P energy: -101.670 bonds (distance) P-C4' energy: -109.778 flat angles C4'-P-C4' energy: -130.558 flat angles P-C4'-P energy: -80.311 tors. eta vs tors. theta energy: -181.347 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: 3, replica: 4 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1992.832318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.832318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.832318 (E_RNA) where: Base-Base interactions energy: -1345.755 where: short stacking energy: -558.821 Base-Backbone interact. energy: -0.309 local terms energy: -646.767666 where: bonds (distance) C4'-P energy: -123.076 bonds (distance) P-C4' energy: -117.594 flat angles C4'-P-C4' energy: -138.037 flat angles P-C4'-P energy: -87.822 tors. eta vs tors. theta energy: -180.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1806.026335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.026335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.026335 (E_RNA) where: Base-Base interactions energy: -1233.730 where: short stacking energy: -506.800 Base-Backbone interact. energy: 0.682 local terms energy: -572.978062 where: bonds (distance) C4'-P energy: -108.978 bonds (distance) P-C4' energy: -113.403 flat angles C4'-P-C4' energy: -124.578 flat angles P-C4'-P energy: -87.153 tors. eta vs tors. theta energy: -138.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1713.292485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.292485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.292485 (E_RNA) where: Base-Base interactions energy: -1138.930 where: short stacking energy: -485.169 Base-Backbone interact. energy: 3.528 local terms energy: -577.891134 where: bonds (distance) C4'-P energy: -114.813 bonds (distance) P-C4' energy: -114.055 flat angles C4'-P-C4' energy: -121.103 flat angles P-C4'-P energy: -81.969 tors. eta vs tors. theta energy: -145.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1217.432043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.432043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.432043 (E_RNA) where: Base-Base interactions energy: -771.095 where: short stacking energy: -356.919 Base-Backbone interact. energy: 2.207 local terms energy: -448.544018 where: bonds (distance) C4'-P energy: -104.812 bonds (distance) P-C4' energy: -110.033 flat angles C4'-P-C4' energy: -91.925 flat angles P-C4'-P energy: -72.216 tors. eta vs tors. theta energy: -69.559 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: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1200.081450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.081450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.081450 (E_RNA) where: Base-Base interactions energy: -746.205 where: short stacking energy: -316.997 Base-Backbone interact. energy: 1.580 local terms energy: -455.456744 where: bonds (distance) C4'-P energy: -109.068 bonds (distance) P-C4' energy: -104.773 flat angles C4'-P-C4' energy: -101.022 flat angles P-C4'-P energy: -72.118 tors. eta vs tors. theta energy: -68.475 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: 6 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1022.477996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.477996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.477996 (E_RNA) where: Base-Base interactions energy: -608.693 where: short stacking energy: -280.294 Base-Backbone interact. energy: 4.332 local terms energy: -418.116804 where: bonds (distance) C4'-P energy: -102.226 bonds (distance) P-C4' energy: -106.297 flat angles C4'-P-C4' energy: -94.939 flat angles P-C4'-P energy: -67.464 tors. eta vs tors. theta energy: -47.190 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: 8 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -651.778636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.778636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.778636 (E_RNA) where: Base-Base interactions energy: -311.650 where: short stacking energy: -204.630 Base-Backbone interact. energy: 0.383 local terms energy: -340.511866 where: bonds (distance) C4'-P energy: -82.996 bonds (distance) P-C4' energy: -101.467 flat angles C4'-P-C4' energy: -79.654 flat angles P-C4'-P energy: -77.488 tors. eta vs tors. theta energy: 1.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -460.320823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.320823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.320823 (E_RNA) where: Base-Base interactions energy: -172.503 where: short stacking energy: -122.536 Base-Backbone interact. energy: 2.448 local terms energy: -290.265461 where: bonds (distance) C4'-P energy: -83.678 bonds (distance) P-C4' energy: -107.448 flat angles C4'-P-C4' energy: -80.124 flat angles P-C4'-P energy: -55.128 tors. eta vs tors. theta energy: 36.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2186.058237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.058237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.058237 (E_RNA) where: Base-Base interactions energy: -1536.917 where: short stacking energy: -616.781 Base-Backbone interact. energy: -2.687 local terms energy: -646.454037 where: bonds (distance) C4'-P energy: -114.248 bonds (distance) P-C4' energy: -121.849 flat angles C4'-P-C4' energy: -138.261 flat angles P-C4'-P energy: -90.353 tors. eta vs tors. theta energy: -181.744 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: 7 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2035.820053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.820053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.820053 (E_RNA) where: Base-Base interactions energy: -1408.043 where: short stacking energy: -549.892 Base-Backbone interact. energy: 1.411 local terms energy: -629.188650 where: bonds (distance) C4'-P energy: -111.415 bonds (distance) P-C4' energy: -124.457 flat angles C4'-P-C4' energy: -131.882 flat angles P-C4'-P energy: -94.319 tors. eta vs tors. theta energy: -167.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1960.926896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.926896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.926896 (E_RNA) where: Base-Base interactions energy: -1344.531 where: short stacking energy: -550.506 Base-Backbone interact. energy: -2.340 local terms energy: -614.056567 where: bonds (distance) C4'-P energy: -110.221 bonds (distance) P-C4' energy: -123.798 flat angles C4'-P-C4' energy: -135.326 flat angles P-C4'-P energy: -81.708 tors. eta vs tors. theta energy: -163.005 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: 5 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1802.306599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.306599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.306599 (E_RNA) where: Base-Base interactions energy: -1222.090 where: short stacking energy: -500.675 Base-Backbone interact. energy: -2.903 local terms energy: -577.313779 where: bonds (distance) C4'-P energy: -114.892 bonds (distance) P-C4' energy: -104.018 flat angles C4'-P-C4' energy: -128.642 flat angles P-C4'-P energy: -83.819 tors. eta vs tors. theta energy: -145.943 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: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1725.148462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.148462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.148462 (E_RNA) where: Base-Base interactions energy: -1140.736 where: short stacking energy: -506.242 Base-Backbone interact. energy: -0.179 local terms energy: -584.233497 where: bonds (distance) C4'-P energy: -117.675 bonds (distance) P-C4' energy: -105.942 flat angles C4'-P-C4' energy: -132.064 flat angles P-C4'-P energy: -84.319 tors. eta vs tors. theta energy: -144.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1253.111147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.111147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.111147 (E_RNA) where: Base-Base interactions energy: -792.568 where: short stacking energy: -387.588 Base-Backbone interact. energy: -2.990 local terms energy: -457.553441 where: bonds (distance) C4'-P energy: -103.123 bonds (distance) P-C4' energy: -99.526 flat angles C4'-P-C4' energy: -103.408 flat angles P-C4'-P energy: -64.796 tors. eta vs tors. theta energy: -86.700 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: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1226.960041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.960041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.960041 (E_RNA) where: Base-Base interactions energy: -784.135 where: short stacking energy: -319.701 Base-Backbone interact. energy: 0.389 local terms energy: -443.214030 where: bonds (distance) C4'-P energy: -96.658 bonds (distance) P-C4' energy: -98.814 flat angles C4'-P-C4' energy: -108.018 flat angles P-C4'-P energy: -63.527 tors. eta vs tors. theta energy: -76.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1049.659294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.659294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.659294 (E_RNA) where: Base-Base interactions energy: -654.238 where: short stacking energy: -291.193 Base-Backbone interact. energy: -2.413 local terms energy: -393.008486 where: bonds (distance) C4'-P energy: -76.397 bonds (distance) P-C4' energy: -106.380 flat angles C4'-P-C4' energy: -93.010 flat angles P-C4'-P energy: -60.848 tors. eta vs tors. theta energy: -56.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -705.142292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.142292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.142292 (E_RNA) where: Base-Base interactions energy: -353.048 where: short stacking energy: -235.707 Base-Backbone interact. energy: -2.772 local terms energy: -349.322182 where: bonds (distance) C4'-P energy: -91.521 bonds (distance) P-C4' energy: -92.206 flat angles C4'-P-C4' energy: -90.493 flat angles P-C4'-P energy: -49.039 tors. eta vs tors. theta energy: -26.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -483.723661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.723661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.723661 (E_RNA) where: Base-Base interactions energy: -196.714 where: short stacking energy: -142.768 Base-Backbone interact. energy: -0.503 local terms energy: -286.507154 where: bonds (distance) C4'-P energy: -95.347 bonds (distance) P-C4' energy: -95.504 flat angles C4'-P-C4' energy: -73.081 flat angles P-C4'-P energy: -45.092 tors. eta vs tors. theta energy: 22.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2157.626005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.626005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.626005 (E_RNA) where: Base-Base interactions energy: -1500.898 where: short stacking energy: -611.767 Base-Backbone interact. energy: 0.042 local terms energy: -656.770635 where: bonds (distance) C4'-P energy: -121.581 bonds (distance) P-C4' energy: -126.684 flat angles C4'-P-C4' energy: -140.023 flat angles P-C4'-P energy: -91.733 tors. eta vs tors. theta energy: -176.750 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: 7 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2007.346565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.346565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.346565 (E_RNA) where: Base-Base interactions energy: -1362.226 where: short stacking energy: -577.058 Base-Backbone interact. energy: 1.614 local terms energy: -646.734728 where: bonds (distance) C4'-P energy: -123.385 bonds (distance) P-C4' energy: -122.378 flat angles C4'-P-C4' energy: -135.005 flat angles P-C4'-P energy: -87.132 tors. eta vs tors. theta energy: -178.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1957.407493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.407493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.407493 (E_RNA) where: Base-Base interactions energy: -1337.167 where: short stacking energy: -561.741 Base-Backbone interact. energy: -2.090 local terms energy: -618.150024 where: bonds (distance) C4'-P energy: -117.126 bonds (distance) P-C4' energy: -111.711 flat angles C4'-P-C4' energy: -125.679 flat angles P-C4'-P energy: -91.339 tors. eta vs tors. theta energy: -172.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1843.066404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.066404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.066404 (E_RNA) where: Base-Base interactions energy: -1258.989 where: short stacking energy: -524.985 Base-Backbone interact. energy: 0.192 local terms energy: -584.269659 where: bonds (distance) C4'-P energy: -102.585 bonds (distance) P-C4' energy: -128.454 flat angles C4'-P-C4' energy: -115.137 flat angles P-C4'-P energy: -76.307 tors. eta vs tors. theta energy: -161.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1703.338505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.338505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.338505 (E_RNA) where: Base-Base interactions energy: -1154.750 where: short stacking energy: -498.934 Base-Backbone interact. energy: -0.453 local terms energy: -548.135369 where: bonds (distance) C4'-P energy: -109.231 bonds (distance) P-C4' energy: -104.501 flat angles C4'-P-C4' energy: -119.958 flat angles P-C4'-P energy: -63.539 tors. eta vs tors. theta energy: -150.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1282.123527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.123527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.123527 (E_RNA) where: Base-Base interactions energy: -808.478 where: short stacking energy: -334.501 Base-Backbone interact. energy: -1.478 local terms energy: -472.168324 where: bonds (distance) C4'-P energy: -111.493 bonds (distance) P-C4' energy: -98.979 flat angles C4'-P-C4' energy: -106.132 flat angles P-C4'-P energy: -76.533 tors. eta vs tors. theta energy: -79.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1163.632702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.632702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.632702 (E_RNA) where: Base-Base interactions energy: -744.235 where: short stacking energy: -322.528 Base-Backbone interact. energy: 1.688 local terms energy: -421.086039 where: bonds (distance) C4'-P energy: -97.374 bonds (distance) P-C4' energy: -113.205 flat angles C4'-P-C4' energy: -100.791 flat angles P-C4'-P energy: -54.648 tors. eta vs tors. theta energy: -55.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -971.668910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.668910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.668910 (E_RNA) where: Base-Base interactions energy: -564.738 where: short stacking energy: -249.602 Base-Backbone interact. energy: 0.333 local terms energy: -407.264794 where: bonds (distance) C4'-P energy: -87.491 bonds (distance) P-C4' energy: -113.959 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -60.654 tors. eta vs tors. theta energy: -35.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -641.312477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.312477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.312477 (E_RNA) where: Base-Base interactions energy: -314.377 where: short stacking energy: -197.026 Base-Backbone interact. energy: 0.964 local terms energy: -327.899324 where: bonds (distance) C4'-P energy: -90.807 bonds (distance) P-C4' energy: -95.434 flat angles C4'-P-C4' energy: -89.268 flat angles P-C4'-P energy: -41.137 tors. eta vs tors. theta energy: -11.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -463.286176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.286176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.286176 (E_RNA) where: Base-Base interactions energy: -145.348 where: short stacking energy: -105.420 Base-Backbone interact. energy: -2.295 local terms energy: -315.643698 where: bonds (distance) C4'-P energy: -102.470 bonds (distance) P-C4' energy: -95.612 flat angles C4'-P-C4' energy: -90.070 flat angles P-C4'-P energy: -63.873 tors. eta vs tors. theta energy: 36.381 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: 1 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2178.181469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.181469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.181469 (E_RNA) where: Base-Base interactions energy: -1525.427 where: short stacking energy: -613.099 Base-Backbone interact. energy: 3.552 local terms energy: -656.306863 where: bonds (distance) C4'-P energy: -117.446 bonds (distance) P-C4' energy: -133.453 flat angles C4'-P-C4' energy: -140.112 flat angles P-C4'-P energy: -82.516 tors. eta vs tors. theta energy: -182.781 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: 342 Temperature: 0.950000 Total energy: -1996.038043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.038043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.038043 (E_RNA) where: Base-Base interactions energy: -1366.017 where: short stacking energy: -534.014 Base-Backbone interact. energy: -3.002 local terms energy: -627.018323 where: bonds (distance) C4'-P energy: -118.018 bonds (distance) P-C4' energy: -124.443 flat angles C4'-P-C4' energy: -134.355 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -166.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1932.167687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.167687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.167687 (E_RNA) where: Base-Base interactions energy: -1337.751 where: short stacking energy: -548.813 Base-Backbone interact. energy: -2.948 local terms energy: -591.469111 where: bonds (distance) C4'-P energy: -108.590 bonds (distance) P-C4' energy: -95.743 flat angles C4'-P-C4' energy: -129.566 flat angles P-C4'-P energy: -86.251 tors. eta vs tors. theta energy: -171.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1887.318746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.318746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.318746 (E_RNA) where: Base-Base interactions energy: -1284.485 where: short stacking energy: -540.991 Base-Backbone interact. energy: 0.842 local terms energy: -603.675123 where: bonds (distance) C4'-P energy: -112.822 bonds (distance) P-C4' energy: -115.580 flat angles C4'-P-C4' energy: -130.050 flat angles P-C4'-P energy: -77.588 tors. eta vs tors. theta energy: -167.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1702.468117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.468117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.468117 (E_RNA) where: Base-Base interactions energy: -1131.841 where: short stacking energy: -508.671 Base-Backbone interact. energy: -0.332 local terms energy: -570.294529 where: bonds (distance) C4'-P energy: -110.944 bonds (distance) P-C4' energy: -120.481 flat angles C4'-P-C4' energy: -125.256 flat angles P-C4'-P energy: -60.887 tors. eta vs tors. theta energy: -152.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1372.412408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.412408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.412408 (E_RNA) where: Base-Base interactions energy: -889.629 where: short stacking energy: -374.473 Base-Backbone interact. energy: 0.512 local terms energy: -483.295698 where: bonds (distance) C4'-P energy: -106.788 bonds (distance) P-C4' energy: -95.585 flat angles C4'-P-C4' energy: -114.592 flat angles P-C4'-P energy: -66.515 tors. eta vs tors. theta energy: -99.816 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: 342 Temperature: 1.200000 Total energy: -1073.637851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.637851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.637851 (E_RNA) where: Base-Base interactions energy: -610.534 where: short stacking energy: -293.720 Base-Backbone interact. energy: 2.429 local terms energy: -465.532939 where: bonds (distance) C4'-P energy: -116.264 bonds (distance) P-C4' energy: -111.854 flat angles C4'-P-C4' energy: -96.764 flat angles P-C4'-P energy: -81.176 tors. eta vs tors. theta energy: -59.475 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: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1000.368841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.368841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.368841 (E_RNA) where: Base-Base interactions energy: -592.556 where: short stacking energy: -286.831 Base-Backbone interact. energy: 0.686 local terms energy: -408.498647 where: bonds (distance) C4'-P energy: -82.360 bonds (distance) P-C4' energy: -89.546 flat angles C4'-P-C4' energy: -109.299 flat angles P-C4'-P energy: -58.040 tors. eta vs tors. theta energy: -69.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -606.508993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.508993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.508993 (E_RNA) where: Base-Base interactions energy: -252.857 where: short stacking energy: -183.128 Base-Backbone interact. energy: -0.080 local terms energy: -353.572547 where: bonds (distance) C4'-P energy: -109.663 bonds (distance) P-C4' energy: -107.253 flat angles C4'-P-C4' energy: -97.754 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: 7.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -478.634821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.634821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.634821 (E_RNA) where: Base-Base interactions energy: -168.539 where: short stacking energy: -131.066 Base-Backbone interact. energy: -2.164 local terms energy: -307.931934 where: bonds (distance) C4'-P energy: -101.422 bonds (distance) P-C4' energy: -103.638 flat angles C4'-P-C4' energy: -83.889 flat angles P-C4'-P energy: -40.972 tors. eta vs tors. theta energy: 21.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2174.210146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.210146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.210146 (E_RNA) where: Base-Base interactions energy: -1528.051 where: short stacking energy: -609.582 Base-Backbone interact. energy: -3.268 local terms energy: -642.891480 where: bonds (distance) C4'-P energy: -117.820 bonds (distance) P-C4' energy: -123.388 flat angles C4'-P-C4' energy: -131.514 flat angles P-C4'-P energy: -85.340 tors. eta vs tors. theta energy: -184.829 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: 7 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2024.573906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.573906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.573906 (E_RNA) where: Base-Base interactions energy: -1402.706 where: short stacking energy: -582.985 Base-Backbone interact. energy: -2.809 local terms energy: -619.059482 where: bonds (distance) C4'-P energy: -102.904 bonds (distance) P-C4' energy: -109.450 flat angles C4'-P-C4' energy: -142.315 flat angles P-C4'-P energy: -87.215 tors. eta vs tors. theta energy: -177.175 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: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1948.540349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.540349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.540349 (E_RNA) where: Base-Base interactions energy: -1302.099 where: short stacking energy: -515.431 Base-Backbone interact. energy: -4.015 local terms energy: -642.426472 where: bonds (distance) C4'-P energy: -118.992 bonds (distance) P-C4' energy: -132.978 flat angles C4'-P-C4' energy: -136.294 flat angles P-C4'-P energy: -83.737 tors. eta vs tors. theta energy: -170.425 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: 4, replica: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1848.223601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.223601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.223601 (E_RNA) where: Base-Base interactions energy: -1262.704 where: short stacking energy: -540.534 Base-Backbone interact. energy: -3.687 local terms energy: -581.832563 where: bonds (distance) C4'-P energy: -97.366 bonds (distance) P-C4' energy: -112.525 flat angles C4'-P-C4' energy: -138.867 flat angles P-C4'-P energy: -84.502 tors. eta vs tors. theta energy: -148.573 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: 343 Temperature: 1.100000 Total energy: -1693.484465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.484465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.484465 (E_RNA) where: Base-Base interactions energy: -1137.597 where: short stacking energy: -499.791 Base-Backbone interact. energy: 1.517 local terms energy: -557.405039 where: bonds (distance) C4'-P energy: -96.018 bonds (distance) P-C4' energy: -110.622 flat angles C4'-P-C4' energy: -122.423 flat angles P-C4'-P energy: -75.685 tors. eta vs tors. theta energy: -152.657 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: 6, replica: 3 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1373.400164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.400164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.400164 (E_RNA) where: Base-Base interactions energy: -862.001 where: short stacking energy: -410.911 Base-Backbone interact. energy: 0.248 local terms energy: -511.647779 where: bonds (distance) C4'-P energy: -97.460 bonds (distance) P-C4' energy: -115.068 flat angles C4'-P-C4' energy: -113.382 flat angles P-C4'-P energy: -72.531 tors. eta vs tors. theta energy: -113.207 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: 343 Temperature: 1.200000 Total energy: -1085.234425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.234425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.234425 (E_RNA) where: Base-Base interactions energy: -648.740 where: short stacking energy: -275.855 Base-Backbone interact. energy: 1.021 local terms energy: -437.514789 where: bonds (distance) C4'-P energy: -96.257 bonds (distance) P-C4' energy: -115.884 flat angles C4'-P-C4' energy: -122.840 flat angles P-C4'-P energy: -58.669 tors. eta vs tors. theta energy: -43.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -955.118527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.118527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.118527 (E_RNA) where: Base-Base interactions energy: -543.595 where: short stacking energy: -278.974 Base-Backbone interact. energy: -2.885 local terms energy: -408.638628 where: bonds (distance) C4'-P energy: -112.167 bonds (distance) P-C4' energy: -111.000 flat angles C4'-P-C4' energy: -87.810 flat angles P-C4'-P energy: -55.137 tors. eta vs tors. theta energy: -42.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -639.631955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.631955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.631955 (E_RNA) where: Base-Base interactions energy: -291.613 where: short stacking energy: -186.189 Base-Backbone interact. energy: -0.367 local terms energy: -347.651575 where: bonds (distance) C4'-P energy: -95.933 bonds (distance) P-C4' energy: -104.341 flat angles C4'-P-C4' energy: -79.526 flat angles P-C4'-P energy: -68.424 tors. eta vs tors. theta energy: 0.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -449.569481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.569481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.569481 (E_RNA) where: Base-Base interactions energy: -139.778 where: short stacking energy: -108.524 Base-Backbone interact. energy: -1.953 local terms energy: -307.838741 where: bonds (distance) C4'-P energy: -95.849 bonds (distance) P-C4' energy: -94.303 flat angles C4'-P-C4' energy: -93.845 flat angles P-C4'-P energy: -53.514 tors. eta vs tors. theta energy: 29.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2169.680149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.680149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.680149 (E_RNA) where: Base-Base interactions energy: -1510.005 where: short stacking energy: -624.235 Base-Backbone interact. energy: 0.904 local terms energy: -660.579186 where: bonds (distance) C4'-P energy: -115.866 bonds (distance) P-C4' energy: -132.184 flat angles C4'-P-C4' energy: -138.001 flat angles P-C4'-P energy: -88.308 tors. eta vs tors. theta energy: -186.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2034.090305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.090305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.090305 (E_RNA) where: Base-Base interactions energy: -1363.277 where: short stacking energy: -576.099 Base-Backbone interact. energy: -2.695 local terms energy: -668.117814 where: bonds (distance) C4'-P energy: -140.370 bonds (distance) P-C4' energy: -127.274 flat angles C4'-P-C4' energy: -132.976 flat angles P-C4'-P energy: -92.166 tors. eta vs tors. theta energy: -175.331 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: 4 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1921.727904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.727904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.727904 (E_RNA) where: Base-Base interactions energy: -1322.233 where: short stacking energy: -536.422 Base-Backbone interact. energy: 5.222 local terms energy: -604.716890 where: bonds (distance) C4'-P energy: -108.928 bonds (distance) P-C4' energy: -115.414 flat angles C4'-P-C4' energy: -139.089 flat angles P-C4'-P energy: -87.213 tors. eta vs tors. theta energy: -154.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1858.913726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.913726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.913726 (E_RNA) where: Base-Base interactions energy: -1267.822 where: short stacking energy: -541.127 Base-Backbone interact. energy: -2.921 local terms energy: -588.170336 where: bonds (distance) C4'-P energy: -112.437 bonds (distance) P-C4' energy: -104.144 flat angles C4'-P-C4' energy: -128.951 flat angles P-C4'-P energy: -81.294 tors. eta vs tors. theta energy: -161.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1773.350561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.350561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.350561 (E_RNA) where: Base-Base interactions energy: -1175.611 where: short stacking energy: -498.682 Base-Backbone interact. energy: -2.041 local terms energy: -595.699037 where: bonds (distance) C4'-P energy: -102.227 bonds (distance) P-C4' energy: -117.518 flat angles C4'-P-C4' energy: -130.355 flat angles P-C4'-P energy: -81.554 tors. eta vs tors. theta energy: -164.045 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: 6, replica: 3 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1379.936221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.936221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.936221 (E_RNA) where: Base-Base interactions energy: -882.022 where: short stacking energy: -390.078 Base-Backbone interact. energy: -0.603 local terms energy: -497.311412 where: bonds (distance) C4'-P energy: -116.741 bonds (distance) P-C4' energy: -98.260 flat angles C4'-P-C4' energy: -117.130 flat angles P-C4'-P energy: -58.339 tors. eta vs tors. theta energy: -106.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1148.454830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.454830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.454830 (E_RNA) where: Base-Base interactions energy: -681.807 where: short stacking energy: -323.824 Base-Backbone interact. energy: -4.597 local terms energy: -462.051202 where: bonds (distance) C4'-P energy: -112.552 bonds (distance) P-C4' energy: -125.459 flat angles C4'-P-C4' energy: -89.476 flat angles P-C4'-P energy: -67.226 tors. eta vs tors. theta energy: -67.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -939.184397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.184397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.184397 (E_RNA) where: Base-Base interactions energy: -522.664 where: short stacking energy: -270.235 Base-Backbone interact. energy: 0.604 local terms energy: -417.124218 where: bonds (distance) C4'-P energy: -94.835 bonds (distance) P-C4' energy: -126.186 flat angles C4'-P-C4' energy: -80.168 flat angles P-C4'-P energy: -66.805 tors. eta vs tors. theta energy: -49.130 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: 9, replica: 8 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -596.779639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.779639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.779639 (E_RNA) where: Base-Base interactions energy: -272.958 where: short stacking energy: -147.572 Base-Backbone interact. energy: 1.313 local terms energy: -325.135163 where: bonds (distance) C4'-P energy: -99.545 bonds (distance) P-C4' energy: -107.065 flat angles C4'-P-C4' energy: -74.581 flat angles P-C4'-P energy: -56.076 tors. eta vs tors. theta energy: 12.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -455.461342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.461342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.461342 (E_RNA) where: Base-Base interactions energy: -142.257 where: short stacking energy: -112.864 Base-Backbone interact. energy: 2.552 local terms energy: -315.755660 where: bonds (distance) C4'-P energy: -106.261 bonds (distance) P-C4' energy: -118.233 flat angles C4'-P-C4' energy: -81.020 flat angles P-C4'-P energy: -36.691 tors. eta vs tors. theta energy: 26.449 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: 1 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2168.529417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.529417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.529417 (E_RNA) where: Base-Base interactions energy: -1501.042 where: short stacking energy: -608.072 Base-Backbone interact. energy: -2.968 local terms energy: -664.519496 where: bonds (distance) C4'-P energy: -116.688 bonds (distance) P-C4' energy: -126.580 flat angles C4'-P-C4' energy: -128.334 flat angles P-C4'-P energy: -99.406 tors. eta vs tors. theta energy: -193.511 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: 7 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2033.468066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.468066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.468066 (E_RNA) where: Base-Base interactions energy: -1376.508 where: short stacking energy: -554.237 Base-Backbone interact. energy: -3.920 local terms energy: -653.039401 where: bonds (distance) C4'-P energy: -124.277 bonds (distance) P-C4' energy: -135.684 flat angles C4'-P-C4' energy: -133.558 flat angles P-C4'-P energy: -94.406 tors. eta vs tors. theta energy: -165.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1915.665559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.665559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.665559 (E_RNA) where: Base-Base interactions energy: -1299.897 where: short stacking energy: -551.393 Base-Backbone interact. energy: 0.183 local terms energy: -615.951489 where: bonds (distance) C4'-P energy: -122.952 bonds (distance) P-C4' energy: -108.378 flat angles C4'-P-C4' energy: -130.218 flat angles P-C4'-P energy: -87.213 tors. eta vs tors. theta energy: -167.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1826.880527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.880527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.880527 (E_RNA) where: Base-Base interactions energy: -1259.826 where: short stacking energy: -526.040 Base-Backbone interact. energy: -3.403 local terms energy: -563.652484 where: bonds (distance) C4'-P energy: -91.905 bonds (distance) P-C4' energy: -115.654 flat angles C4'-P-C4' energy: -117.487 flat angles P-C4'-P energy: -86.738 tors. eta vs tors. theta energy: -151.868 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: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1730.112371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.112371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.112371 (E_RNA) where: Base-Base interactions energy: -1146.571 where: short stacking energy: -510.145 Base-Backbone interact. energy: 0.613 local terms energy: -584.154505 where: bonds (distance) C4'-P energy: -96.474 bonds (distance) P-C4' energy: -126.298 flat angles C4'-P-C4' energy: -134.462 flat angles P-C4'-P energy: -80.830 tors. eta vs tors. theta energy: -146.090 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: 3 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1432.539982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.539982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.539982 (E_RNA) where: Base-Base interactions energy: -922.784 where: short stacking energy: -397.258 Base-Backbone interact. energy: -1.218 local terms energy: -508.538129 where: bonds (distance) C4'-P energy: -73.481 bonds (distance) P-C4' energy: -108.424 flat angles C4'-P-C4' energy: -128.619 flat angles P-C4'-P energy: -86.031 tors. eta vs tors. theta energy: -111.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1174.104714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.104714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.104714 (E_RNA) where: Base-Base interactions energy: -736.503 where: short stacking energy: -322.689 Base-Backbone interact. energy: -1.694 local terms energy: -435.907759 where: bonds (distance) C4'-P energy: -104.547 bonds (distance) P-C4' energy: -104.269 flat angles C4'-P-C4' energy: -103.376 flat angles P-C4'-P energy: -52.662 tors. eta vs tors. theta energy: -71.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -964.319516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.319516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.319516 (E_RNA) where: Base-Base interactions energy: -563.287 where: short stacking energy: -265.594 Base-Backbone interact. energy: -2.740 local terms energy: -398.292371 where: bonds (distance) C4'-P energy: -94.913 bonds (distance) P-C4' energy: -101.897 flat angles C4'-P-C4' energy: -111.947 flat angles P-C4'-P energy: -56.142 tors. eta vs tors. theta energy: -33.394 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: 8 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -620.624479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.624479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.624479 (E_RNA) where: Base-Base interactions energy: -285.923 where: short stacking energy: -180.640 Base-Backbone interact. energy: -1.293 local terms energy: -333.407599 where: bonds (distance) C4'-P energy: -77.246 bonds (distance) P-C4' energy: -98.457 flat angles C4'-P-C4' energy: -93.503 flat angles P-C4'-P energy: -57.123 tors. eta vs tors. theta energy: -7.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -466.725668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.725668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.725668 (E_RNA) where: Base-Base interactions energy: -180.878 where: short stacking energy: -150.635 Base-Backbone interact. energy: -0.503 local terms energy: -285.344122 where: bonds (distance) C4'-P energy: -80.632 bonds (distance) P-C4' energy: -104.150 flat angles C4'-P-C4' energy: -71.261 flat angles P-C4'-P energy: -45.546 tors. eta vs tors. theta energy: 16.245 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: 1 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2189.434496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.434496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.434496 (E_RNA) where: Base-Base interactions energy: -1534.535 where: short stacking energy: -641.543 Base-Backbone interact. energy: -1.521 local terms energy: -653.379099 where: bonds (distance) C4'-P energy: -125.107 bonds (distance) P-C4' energy: -109.799 flat angles C4'-P-C4' energy: -131.267 flat angles P-C4'-P energy: -102.021 tors. eta vs tors. theta energy: -185.185 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: 7 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2022.185114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.185114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.185114 (E_RNA) where: Base-Base interactions energy: -1383.425 where: short stacking energy: -605.056 Base-Backbone interact. energy: -5.833 local terms energy: -632.926806 where: bonds (distance) C4'-P energy: -105.578 bonds (distance) P-C4' energy: -133.718 flat angles C4'-P-C4' energy: -136.331 flat angles P-C4'-P energy: -74.919 tors. eta vs tors. theta energy: -182.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1923.266898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.266898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.266898 (E_RNA) where: Base-Base interactions energy: -1278.425 where: short stacking energy: -548.411 Base-Backbone interact. energy: -3.841 local terms energy: -641.000311 where: bonds (distance) C4'-P energy: -109.104 bonds (distance) P-C4' energy: -118.592 flat angles C4'-P-C4' energy: -138.993 flat angles P-C4'-P energy: -100.606 tors. eta vs tors. theta energy: -173.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1848.250533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.250533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.250533 (E_RNA) where: Base-Base interactions energy: -1242.915 where: short stacking energy: -511.730 Base-Backbone interact. energy: -0.011 local terms energy: -605.324618 where: bonds (distance) C4'-P energy: -117.073 bonds (distance) P-C4' energy: -113.293 flat angles C4'-P-C4' energy: -132.162 flat angles P-C4'-P energy: -83.285 tors. eta vs tors. theta energy: -159.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1739.880979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.880979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.880979 (E_RNA) where: Base-Base interactions energy: -1191.747 where: short stacking energy: -503.192 Base-Backbone interact. energy: 2.428 local terms energy: -550.562117 where: bonds (distance) C4'-P energy: -103.927 bonds (distance) P-C4' energy: -110.742 flat angles C4'-P-C4' energy: -129.180 flat angles P-C4'-P energy: -65.560 tors. eta vs tors. theta energy: -141.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1499.636324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.636324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.636324 (E_RNA) where: Base-Base interactions energy: -984.776 where: short stacking energy: -429.521 Base-Backbone interact. energy: 0.216 local terms energy: -515.076326 where: bonds (distance) C4'-P energy: -119.630 bonds (distance) P-C4' energy: -103.978 flat angles C4'-P-C4' energy: -117.370 flat angles P-C4'-P energy: -60.148 tors. eta vs tors. theta energy: -113.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1140.914012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.914012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.914012 (E_RNA) where: Base-Base interactions energy: -709.619 where: short stacking energy: -332.531 Base-Backbone interact. energy: -4.676 local terms energy: -426.619239 where: bonds (distance) C4'-P energy: -98.803 bonds (distance) P-C4' energy: -111.013 flat angles C4'-P-C4' energy: -98.764 flat angles P-C4'-P energy: -54.315 tors. eta vs tors. theta energy: -63.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -977.528621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.528621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.528621 (E_RNA) where: Base-Base interactions energy: -567.493 where: short stacking energy: -312.558 Base-Backbone interact. energy: -2.092 local terms energy: -407.944023 where: bonds (distance) C4'-P energy: -95.697 bonds (distance) P-C4' energy: -114.100 flat angles C4'-P-C4' energy: -90.009 flat angles P-C4'-P energy: -52.222 tors. eta vs tors. theta energy: -55.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -612.971815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.971815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.971815 (E_RNA) where: Base-Base interactions energy: -238.372 where: short stacking energy: -139.256 Base-Backbone interact. energy: -2.615 local terms energy: -371.985442 where: bonds (distance) C4'-P energy: -113.570 bonds (distance) P-C4' energy: -102.442 flat angles C4'-P-C4' energy: -97.668 flat angles P-C4'-P energy: -60.241 tors. eta vs tors. theta energy: 1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -484.342252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.342252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.342252 (E_RNA) where: Base-Base interactions energy: -143.541 where: short stacking energy: -125.132 Base-Backbone interact. energy: 0.858 local terms energy: -341.659237 where: bonds (distance) C4'-P energy: -108.206 bonds (distance) P-C4' energy: -107.691 flat angles C4'-P-C4' energy: -89.854 flat angles P-C4'-P energy: -46.325 tors. eta vs tors. theta energy: 10.417 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: 1, replica: 1 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2148.284466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.284466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.284466 (E_RNA) where: Base-Base interactions energy: -1518.876 where: short stacking energy: -584.971 Base-Backbone interact. energy: 1.322 local terms energy: -630.730782 where: bonds (distance) C4'-P energy: -107.978 bonds (distance) P-C4' energy: -122.893 flat angles C4'-P-C4' energy: -136.744 flat angles P-C4'-P energy: -89.709 tors. eta vs tors. theta energy: -173.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2007.366852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.366852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.366852 (E_RNA) where: Base-Base interactions energy: -1375.508 where: short stacking energy: -574.378 Base-Backbone interact. energy: -4.427 local terms energy: -627.431990 where: bonds (distance) C4'-P energy: -113.337 bonds (distance) P-C4' energy: -112.835 flat angles C4'-P-C4' energy: -131.741 flat angles P-C4'-P energy: -95.455 tors. eta vs tors. theta energy: -174.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1933.237323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.237323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.237323 (E_RNA) where: Base-Base interactions energy: -1302.052 where: short stacking energy: -545.492 Base-Backbone interact. energy: -2.586 local terms energy: -628.599054 where: bonds (distance) C4'-P energy: -114.537 bonds (distance) P-C4' energy: -113.416 flat angles C4'-P-C4' energy: -137.692 flat angles P-C4'-P energy: -97.600 tors. eta vs tors. theta energy: -165.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1875.588399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.588399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.588399 (E_RNA) where: Base-Base interactions energy: -1308.174 where: short stacking energy: -525.299 Base-Backbone interact. energy: -4.378 local terms energy: -563.036534 where: bonds (distance) C4'-P energy: -97.613 bonds (distance) P-C4' energy: -109.868 flat angles C4'-P-C4' energy: -130.122 flat angles P-C4'-P energy: -69.321 tors. eta vs tors. theta energy: -156.112 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: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1685.637418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.637418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.637418 (E_RNA) where: Base-Base interactions energy: -1137.662 where: short stacking energy: -507.513 Base-Backbone interact. energy: -2.862 local terms energy: -545.114042 where: bonds (distance) C4'-P energy: -108.457 bonds (distance) P-C4' energy: -118.330 flat angles C4'-P-C4' energy: -120.625 flat angles P-C4'-P energy: -69.152 tors. eta vs tors. theta energy: -128.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1493.251008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.251008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.251008 (E_RNA) where: Base-Base interactions energy: -995.841 where: short stacking energy: -406.656 Base-Backbone interact. energy: -1.094 local terms energy: -496.315250 where: bonds (distance) C4'-P energy: -100.988 bonds (distance) P-C4' energy: -104.573 flat angles C4'-P-C4' energy: -100.831 flat angles P-C4'-P energy: -75.805 tors. eta vs tors. theta energy: -114.119 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: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1143.131875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.131875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.131875 (E_RNA) where: Base-Base interactions energy: -684.869 where: short stacking energy: -314.716 Base-Backbone interact. energy: 0.271 local terms energy: -458.533611 where: bonds (distance) C4'-P energy: -103.245 bonds (distance) P-C4' energy: -100.675 flat angles C4'-P-C4' energy: -105.316 flat angles P-C4'-P energy: -69.592 tors. eta vs tors. theta energy: -79.705 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: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -947.491749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.491749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.491749 (E_RNA) where: Base-Base interactions energy: -514.796 where: short stacking energy: -248.760 Base-Backbone interact. energy: -0.992 local terms energy: -431.703410 where: bonds (distance) C4'-P energy: -102.078 bonds (distance) P-C4' energy: -120.942 flat angles C4'-P-C4' energy: -107.434 flat angles P-C4'-P energy: -61.433 tors. eta vs tors. theta energy: -39.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -627.664838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.664838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.664838 (E_RNA) where: Base-Base interactions energy: -289.079 where: short stacking energy: -167.158 Base-Backbone interact. energy: 2.690 local terms energy: -341.275007 where: bonds (distance) C4'-P energy: -110.312 bonds (distance) P-C4' energy: -101.039 flat angles C4'-P-C4' energy: -106.421 flat angles P-C4'-P energy: -32.384 tors. eta vs tors. theta energy: 8.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -478.415739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.415739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.415739 (E_RNA) where: Base-Base interactions energy: -171.997 where: short stacking energy: -124.917 Base-Backbone interact. energy: 2.620 local terms energy: -309.039169 where: bonds (distance) C4'-P energy: -96.009 bonds (distance) P-C4' energy: -89.640 flat angles C4'-P-C4' energy: -91.090 flat angles P-C4'-P energy: -53.177 tors. eta vs tors. theta energy: 20.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2154.223319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.223319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.223319 (E_RNA) where: Base-Base interactions energy: -1493.227 where: short stacking energy: -612.003 Base-Backbone interact. energy: -3.231 local terms energy: -657.764853 where: bonds (distance) C4'-P energy: -116.809 bonds (distance) P-C4' energy: -129.867 flat angles C4'-P-C4' energy: -135.153 flat angles P-C4'-P energy: -95.918 tors. eta vs tors. theta energy: -180.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2030.455648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.455648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.455648 (E_RNA) where: Base-Base interactions energy: -1401.423 where: short stacking energy: -568.949 Base-Backbone interact. energy: 1.005 local terms energy: -630.037695 where: bonds (distance) C4'-P energy: -114.108 bonds (distance) P-C4' energy: -128.811 flat angles C4'-P-C4' energy: -131.410 flat angles P-C4'-P energy: -90.339 tors. eta vs tors. theta energy: -165.369 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: 4 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2007.257088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.257088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.257088 (E_RNA) where: Base-Base interactions energy: -1364.553 where: short stacking energy: -546.013 Base-Backbone interact. energy: -0.927 local terms energy: -641.776713 where: bonds (distance) C4'-P energy: -113.453 bonds (distance) P-C4' energy: -126.699 flat angles C4'-P-C4' energy: -126.188 flat angles P-C4'-P energy: -88.875 tors. eta vs tors. theta energy: -186.561 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: 4, replica: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1879.192020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.192020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.192020 (E_RNA) where: Base-Base interactions energy: -1277.374 where: short stacking energy: -539.316 Base-Backbone interact. energy: -2.264 local terms energy: -599.554553 where: bonds (distance) C4'-P energy: -124.901 bonds (distance) P-C4' energy: -111.309 flat angles C4'-P-C4' energy: -124.229 flat angles P-C4'-P energy: -82.919 tors. eta vs tors. theta energy: -156.197 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: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1699.215275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.215275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.215275 (E_RNA) where: Base-Base interactions energy: -1130.659 where: short stacking energy: -473.079 Base-Backbone interact. energy: -1.524 local terms energy: -567.031555 where: bonds (distance) C4'-P energy: -103.415 bonds (distance) P-C4' energy: -117.715 flat angles C4'-P-C4' energy: -119.927 flat angles P-C4'-P energy: -86.660 tors. eta vs tors. theta energy: -139.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1536.097582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.097582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.097582 (E_RNA) where: Base-Base interactions energy: -1015.900 where: short stacking energy: -415.354 Base-Backbone interact. energy: 0.665 local terms energy: -520.863070 where: bonds (distance) C4'-P energy: -105.087 bonds (distance) P-C4' energy: -121.896 flat angles C4'-P-C4' energy: -103.476 flat angles P-C4'-P energy: -79.599 tors. eta vs tors. theta energy: -110.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1148.758028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.758028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.758028 (E_RNA) where: Base-Base interactions energy: -712.209 where: short stacking energy: -325.867 Base-Backbone interact. energy: -3.336 local terms energy: -433.212884 where: bonds (distance) C4'-P energy: -82.630 bonds (distance) P-C4' energy: -113.811 flat angles C4'-P-C4' energy: -87.790 flat angles P-C4'-P energy: -74.257 tors. eta vs tors. theta energy: -74.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -921.039965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.039965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.039965 (E_RNA) where: Base-Base interactions energy: -537.722 where: short stacking energy: -263.502 Base-Backbone interact. energy: 2.379 local terms energy: -385.696608 where: bonds (distance) C4'-P energy: -109.161 bonds (distance) P-C4' energy: -104.320 flat angles C4'-P-C4' energy: -87.134 flat angles P-C4'-P energy: -55.184 tors. eta vs tors. theta energy: -29.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -588.752437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.752437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.752437 (E_RNA) where: Base-Base interactions energy: -249.859 where: short stacking energy: -157.169 Base-Backbone interact. energy: 2.539 local terms energy: -341.432572 where: bonds (distance) C4'-P energy: -106.743 bonds (distance) P-C4' energy: -115.798 flat angles C4'-P-C4' energy: -74.394 flat angles P-C4'-P energy: -53.033 tors. eta vs tors. theta energy: 8.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -475.741562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.741562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.741562 (E_RNA) where: Base-Base interactions energy: -169.634 where: short stacking energy: -152.796 Base-Backbone interact. energy: -2.487 local terms energy: -303.621110 where: bonds (distance) C4'-P energy: -93.643 bonds (distance) P-C4' energy: -93.677 flat angles C4'-P-C4' energy: -88.189 flat angles P-C4'-P energy: -37.671 tors. eta vs tors. theta energy: 9.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2177.963937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.963937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.963937 (E_RNA) where: Base-Base interactions energy: -1513.736 where: short stacking energy: -632.016 Base-Backbone interact. energy: -0.945 local terms energy: -663.283865 where: bonds (distance) C4'-P energy: -115.964 bonds (distance) P-C4' energy: -128.657 flat angles C4'-P-C4' energy: -146.756 flat angles P-C4'-P energy: -83.959 tors. eta vs tors. theta energy: -187.948 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: 7 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2054.944046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.944046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.944046 (E_RNA) where: Base-Base interactions energy: -1404.191 where: short stacking energy: -570.223 Base-Backbone interact. energy: -1.208 local terms energy: -649.545413 where: bonds (distance) C4'-P energy: -129.693 bonds (distance) P-C4' energy: -129.469 flat angles C4'-P-C4' energy: -143.895 flat angles P-C4'-P energy: -73.458 tors. eta vs tors. theta energy: -173.029 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: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1956.247780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.247780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.247780 (E_RNA) where: Base-Base interactions energy: -1325.466 where: short stacking energy: -549.342 Base-Backbone interact. energy: -0.873 local terms energy: -629.909380 where: bonds (distance) C4'-P energy: -120.401 bonds (distance) P-C4' energy: -119.544 flat angles C4'-P-C4' energy: -129.253 flat angles P-C4'-P energy: -89.841 tors. eta vs tors. theta energy: -170.870 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: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1892.155598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.155598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.155598 (E_RNA) where: Base-Base interactions energy: -1290.868 where: short stacking energy: -558.155 Base-Backbone interact. energy: -0.980 local terms energy: -600.307448 where: bonds (distance) C4'-P energy: -104.810 bonds (distance) P-C4' energy: -107.623 flat angles C4'-P-C4' energy: -131.227 flat angles P-C4'-P energy: -88.613 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: 5, replica: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1666.215921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.215921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.215921 (E_RNA) where: Base-Base interactions energy: -1112.843 where: short stacking energy: -473.384 Base-Backbone interact. energy: -1.238 local terms energy: -552.134869 where: bonds (distance) C4'-P energy: -102.152 bonds (distance) P-C4' energy: -106.380 flat angles C4'-P-C4' energy: -132.937 flat angles P-C4'-P energy: -75.034 tors. eta vs tors. theta energy: -135.632 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: 3 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1507.462119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.462119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.462119 (E_RNA) where: Base-Base interactions energy: -961.136 where: short stacking energy: -413.257 Base-Backbone interact. energy: -1.513 local terms energy: -544.812793 where: bonds (distance) C4'-P energy: -115.546 bonds (distance) P-C4' energy: -111.943 flat angles C4'-P-C4' energy: -127.828 flat angles P-C4'-P energy: -84.823 tors. eta vs tors. theta energy: -104.673 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: 349 Temperature: 1.200000 Total energy: -1174.703533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.703533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.703533 (E_RNA) where: Base-Base interactions energy: -752.891 where: short stacking energy: -319.739 Base-Backbone interact. energy: -2.429 local terms energy: -419.383288 where: bonds (distance) C4'-P energy: -113.733 bonds (distance) P-C4' energy: -97.412 flat angles C4'-P-C4' energy: -82.641 flat angles P-C4'-P energy: -74.724 tors. eta vs tors. theta energy: -50.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -918.932186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.932186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.932186 (E_RNA) where: Base-Base interactions energy: -528.053 where: short stacking energy: -263.997 Base-Backbone interact. energy: 5.531 local terms energy: -396.410312 where: bonds (distance) C4'-P energy: -108.378 bonds (distance) P-C4' energy: -103.381 flat angles C4'-P-C4' energy: -98.143 flat angles P-C4'-P energy: -61.213 tors. eta vs tors. theta energy: -25.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -617.097194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.097194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.097194 (E_RNA) where: Base-Base interactions energy: -287.553 where: short stacking energy: -178.003 Base-Backbone interact. energy: -0.181 local terms energy: -329.363114 where: bonds (distance) C4'-P energy: -101.800 bonds (distance) P-C4' energy: -119.805 flat angles C4'-P-C4' energy: -75.918 flat angles P-C4'-P energy: -42.279 tors. eta vs tors. theta energy: 10.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -454.976488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.976488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.976488 (E_RNA) where: Base-Base interactions energy: -141.050 where: short stacking energy: -114.471 Base-Backbone interact. energy: -1.914 local terms energy: -312.012821 where: bonds (distance) C4'-P energy: -101.884 bonds (distance) P-C4' energy: -136.197 flat angles C4'-P-C4' energy: -76.203 flat angles P-C4'-P energy: -26.667 tors. eta vs tors. theta energy: 28.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2165.650974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.650974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.650974 (E_RNA) where: Base-Base interactions energy: -1503.474 where: short stacking energy: -610.194 Base-Backbone interact. energy: -0.837 local terms energy: -661.339942 where: bonds (distance) C4'-P energy: -113.509 bonds (distance) P-C4' energy: -127.310 flat angles C4'-P-C4' energy: -139.489 flat angles P-C4'-P energy: -99.319 tors. eta vs tors. theta energy: -181.713 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: 7 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2055.698541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.698541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.698541 (E_RNA) where: Base-Base interactions energy: -1431.304 where: short stacking energy: -587.679 Base-Backbone interact. energy: 1.523 local terms energy: -625.917367 where: bonds (distance) C4'-P energy: -117.839 bonds (distance) P-C4' energy: -107.861 flat angles C4'-P-C4' energy: -131.805 flat angles P-C4'-P energy: -98.324 tors. eta vs tors. theta energy: -170.088 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: 3, replica: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1946.567933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.567933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.567933 (E_RNA) where: Base-Base interactions energy: -1327.839 where: short stacking energy: -539.422 Base-Backbone interact. energy: -1.927 local terms energy: -616.801938 where: bonds (distance) C4'-P energy: -108.479 bonds (distance) P-C4' energy: -126.111 flat angles C4'-P-C4' energy: -134.110 flat angles P-C4'-P energy: -85.143 tors. eta vs tors. theta energy: -162.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1893.216324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.216324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.216324 (E_RNA) where: Base-Base interactions energy: -1303.794 where: short stacking energy: -545.564 Base-Backbone interact. energy: -0.894 local terms energy: -588.528628 where: bonds (distance) C4'-P energy: -126.721 bonds (distance) P-C4' energy: -109.692 flat angles C4'-P-C4' energy: -119.869 flat angles P-C4'-P energy: -80.163 tors. eta vs tors. theta energy: -152.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1706.985617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.985617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.985617 (E_RNA) where: Base-Base interactions energy: -1146.429 where: short stacking energy: -491.691 Base-Backbone interact. energy: -3.148 local terms energy: -557.408775 where: bonds (distance) C4'-P energy: -101.542 bonds (distance) P-C4' energy: -115.219 flat angles C4'-P-C4' energy: -113.696 flat angles P-C4'-P energy: -70.786 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: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1517.765507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.765507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.765507 (E_RNA) where: Base-Base interactions energy: -1009.344 where: short stacking energy: -440.013 Base-Backbone interact. energy: -1.715 local terms energy: -506.706589 where: bonds (distance) C4'-P energy: -89.050 bonds (distance) P-C4' energy: -107.525 flat angles C4'-P-C4' energy: -103.564 flat angles P-C4'-P energy: -85.059 tors. eta vs tors. theta energy: -121.509 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: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -981.463953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.463953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.463953 (E_RNA) where: Base-Base interactions energy: -566.023 where: short stacking energy: -277.826 Base-Backbone interact. energy: -2.023 local terms energy: -413.417322 where: bonds (distance) C4'-P energy: -92.891 bonds (distance) P-C4' energy: -107.523 flat angles C4'-P-C4' energy: -95.271 flat angles P-C4'-P energy: -65.928 tors. eta vs tors. theta energy: -51.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1099.073548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.073548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.073548 (E_RNA) where: Base-Base interactions energy: -679.418 where: short stacking energy: -297.729 Base-Backbone interact. energy: -0.490 local terms energy: -419.165207 where: bonds (distance) C4'-P energy: -93.572 bonds (distance) P-C4' energy: -114.170 flat angles C4'-P-C4' energy: -94.304 flat angles P-C4'-P energy: -62.064 tors. eta vs tors. theta energy: -55.055 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: 8 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -628.867597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.867597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.867597 (E_RNA) where: Base-Base interactions energy: -269.304 where: short stacking energy: -165.583 Base-Backbone interact. energy: 1.631 local terms energy: -361.194474 where: bonds (distance) C4'-P energy: -107.072 bonds (distance) P-C4' energy: -107.258 flat angles C4'-P-C4' energy: -93.782 flat angles P-C4'-P energy: -59.383 tors. eta vs tors. theta energy: 6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -474.307697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.307697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.307697 (E_RNA) where: Base-Base interactions energy: -154.034 where: short stacking energy: -121.007 Base-Backbone interact. energy: 4.969 local terms energy: -325.242460 where: bonds (distance) C4'-P energy: -97.875 bonds (distance) P-C4' energy: -115.657 flat angles C4'-P-C4' energy: -81.806 flat angles P-C4'-P energy: -56.570 tors. eta vs tors. theta energy: 26.666 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: 1 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2170.813014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.813014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.813014 (E_RNA) where: Base-Base interactions energy: -1499.789 where: short stacking energy: -630.044 Base-Backbone interact. energy: -4.419 local terms energy: -666.605127 where: bonds (distance) C4'-P energy: -126.241 bonds (distance) P-C4' energy: -114.079 flat angles C4'-P-C4' energy: -144.759 flat angles P-C4'-P energy: -95.048 tors. eta vs tors. theta energy: -186.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2074.620248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.620248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.620248 (E_RNA) where: Base-Base interactions energy: -1424.634 where: short stacking energy: -582.634 Base-Backbone interact. energy: -3.144 local terms energy: -646.842198 where: bonds (distance) C4'-P energy: -121.345 bonds (distance) P-C4' energy: -117.813 flat angles C4'-P-C4' energy: -132.652 flat angles P-C4'-P energy: -92.696 tors. eta vs tors. theta energy: -182.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1955.892894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.892894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.892894 (E_RNA) where: Base-Base interactions energy: -1347.508 where: short stacking energy: -540.739 Base-Backbone interact. energy: -3.611 local terms energy: -604.773839 where: bonds (distance) C4'-P energy: -108.912 bonds (distance) P-C4' energy: -115.698 flat angles C4'-P-C4' energy: -130.033 flat angles P-C4'-P energy: -78.953 tors. eta vs tors. theta energy: -171.178 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: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1866.758302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.758302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.758302 (E_RNA) where: Base-Base interactions energy: -1277.362 where: short stacking energy: -542.506 Base-Backbone interact. energy: -0.481 local terms energy: -588.915446 where: bonds (distance) C4'-P energy: -105.413 bonds (distance) P-C4' energy: -119.001 flat angles C4'-P-C4' energy: -108.721 flat angles P-C4'-P energy: -86.188 tors. eta vs tors. theta energy: -169.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1738.576316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.576316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.576316 (E_RNA) where: Base-Base interactions energy: -1153.293 where: short stacking energy: -511.753 Base-Backbone interact. energy: -3.555 local terms energy: -581.728663 where: bonds (distance) C4'-P energy: -118.786 bonds (distance) P-C4' energy: -114.628 flat angles C4'-P-C4' energy: -125.557 flat angles P-C4'-P energy: -68.278 tors. eta vs tors. theta energy: -154.479 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: 351 Temperature: 1.150000 Total energy: -1629.773851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.773851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.773851 (E_RNA) where: Base-Base interactions energy: -1101.725 where: short stacking energy: -497.994 Base-Backbone interact. energy: 1.250 local terms energy: -529.299000 where: bonds (distance) C4'-P energy: -92.650 bonds (distance) P-C4' energy: -103.387 flat angles C4'-P-C4' energy: -111.005 flat angles P-C4'-P energy: -73.300 tors. eta vs tors. theta energy: -148.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1012.497949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.497949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.497949 (E_RNA) where: Base-Base interactions energy: -581.270 where: short stacking energy: -288.515 Base-Backbone interact. energy: 3.805 local terms energy: -435.033012 where: bonds (distance) C4'-P energy: -115.251 bonds (distance) P-C4' energy: -105.278 flat angles C4'-P-C4' energy: -116.113 flat angles P-C4'-P energy: -62.576 tors. eta vs tors. theta energy: -35.815 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: 6 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1078.670041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.670041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.670041 (E_RNA) where: Base-Base interactions energy: -682.164 where: short stacking energy: -327.162 Base-Backbone interact. energy: 5.749 local terms energy: -402.255188 where: bonds (distance) C4'-P energy: -87.495 bonds (distance) P-C4' energy: -109.516 flat angles C4'-P-C4' energy: -91.921 flat angles P-C4'-P energy: -57.888 tors. eta vs tors. theta energy: -55.436 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: 9, replica: 8 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -640.572941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.572941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.572941 (E_RNA) where: Base-Base interactions energy: -283.277 where: short stacking energy: -183.677 Base-Backbone interact. energy: 2.706 local terms energy: -360.001597 where: bonds (distance) C4'-P energy: -103.844 bonds (distance) P-C4' energy: -114.777 flat angles C4'-P-C4' energy: -84.509 flat angles P-C4'-P energy: -59.326 tors. eta vs tors. theta energy: 2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -501.196059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.196059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.196059 (E_RNA) where: Base-Base interactions energy: -158.453 where: short stacking energy: -120.691 Base-Backbone interact. energy: -1.169 local terms energy: -341.573653 where: bonds (distance) C4'-P energy: -122.244 bonds (distance) P-C4' energy: -99.854 flat angles C4'-P-C4' energy: -84.772 flat angles P-C4'-P energy: -59.650 tors. eta vs tors. theta energy: 24.946 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: 1, replica: 1 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2186.638792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.638792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.638792 (E_RNA) where: Base-Base interactions energy: -1531.957 where: short stacking energy: -611.608 Base-Backbone interact. energy: -3.413 local terms energy: -651.269103 where: bonds (distance) C4'-P energy: -114.372 bonds (distance) P-C4' energy: -136.011 flat angles C4'-P-C4' energy: -126.219 flat angles P-C4'-P energy: -95.133 tors. eta vs tors. theta energy: -179.535 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: 2, replica: 7 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2040.856062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.856062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.856062 (E_RNA) where: Base-Base interactions energy: -1396.774 where: short stacking energy: -584.478 Base-Backbone interact. energy: -1.605 local terms energy: -642.476431 where: bonds (distance) C4'-P energy: -127.617 bonds (distance) P-C4' energy: -120.447 flat angles C4'-P-C4' energy: -131.613 flat angles P-C4'-P energy: -77.001 tors. eta vs tors. theta energy: -185.799 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: 4 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1962.612241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.612241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.612241 (E_RNA) where: Base-Base interactions energy: -1336.116 where: short stacking energy: -539.308 Base-Backbone interact. energy: -5.263 local terms energy: -621.232961 where: bonds (distance) C4'-P energy: -115.134 bonds (distance) P-C4' energy: -119.958 flat angles C4'-P-C4' energy: -134.805 flat angles P-C4'-P energy: -87.285 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: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1838.736464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.736464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.736464 (E_RNA) where: Base-Base interactions energy: -1252.788 where: short stacking energy: -528.407 Base-Backbone interact. energy: -1.031 local terms energy: -584.917637 where: bonds (distance) C4'-P energy: -105.671 bonds (distance) P-C4' energy: -122.928 flat angles C4'-P-C4' energy: -126.119 flat angles P-C4'-P energy: -82.078 tors. eta vs tors. theta energy: -148.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1661.547297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.547297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.547297 (E_RNA) where: Base-Base interactions energy: -1105.474 where: short stacking energy: -471.002 Base-Backbone interact. energy: -6.104 local terms energy: -549.969511 where: bonds (distance) C4'-P energy: -103.138 bonds (distance) P-C4' energy: -125.381 flat angles C4'-P-C4' energy: -108.169 flat angles P-C4'-P energy: -76.307 tors. eta vs tors. theta energy: -136.975 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: 6, replica: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1626.565457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.565457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.565457 (E_RNA) where: Base-Base interactions energy: -1084.729 where: short stacking energy: -469.097 Base-Backbone interact. energy: -1.070 local terms energy: -540.766405 where: bonds (distance) C4'-P energy: -120.590 bonds (distance) P-C4' energy: -86.438 flat angles C4'-P-C4' energy: -123.127 flat angles P-C4'-P energy: -70.604 tors. eta vs tors. theta energy: -140.007 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: 352 Temperature: 1.200000 Total energy: -1187.779630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.779630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.779630 (E_RNA) where: Base-Base interactions energy: -753.519 where: short stacking energy: -341.461 Base-Backbone interact. energy: -1.847 local terms energy: -432.413618 where: bonds (distance) C4'-P energy: -103.881 bonds (distance) P-C4' energy: -110.374 flat angles C4'-P-C4' energy: -113.470 flat angles P-C4'-P energy: -60.800 tors. eta vs tors. theta energy: -43.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -964.814046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.814046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.814046 (E_RNA) where: Base-Base interactions energy: -551.270 where: short stacking energy: -272.725 Base-Backbone interact. energy: -1.694 local terms energy: -411.850055 where: bonds (distance) C4'-P energy: -96.294 bonds (distance) P-C4' energy: -108.560 flat angles C4'-P-C4' energy: -111.141 flat angles P-C4'-P energy: -64.042 tors. eta vs tors. theta energy: -31.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -641.835525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.835525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.835525 (E_RNA) where: Base-Base interactions energy: -286.508 where: short stacking energy: -188.672 Base-Backbone interact. energy: 0.174 local terms energy: -355.501744 where: bonds (distance) C4'-P energy: -108.077 bonds (distance) P-C4' energy: -95.044 flat angles C4'-P-C4' energy: -98.683 flat angles P-C4'-P energy: -58.323 tors. eta vs tors. theta energy: 4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -496.343536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.343536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.343536 (E_RNA) where: Base-Base interactions energy: -183.807 where: short stacking energy: -115.447 Base-Backbone interact. energy: 0.155 local terms energy: -312.692057 where: bonds (distance) C4'-P energy: -93.678 bonds (distance) P-C4' energy: -103.420 flat angles C4'-P-C4' energy: -71.260 flat angles P-C4'-P energy: -65.331 tors. eta vs tors. theta energy: 20.997 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: 1 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2159.301719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.301719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.301719 (E_RNA) where: Base-Base interactions energy: -1492.885 where: short stacking energy: -584.837 Base-Backbone interact. energy: -6.218 local terms energy: -660.198912 where: bonds (distance) C4'-P energy: -131.874 bonds (distance) P-C4' energy: -127.864 flat angles C4'-P-C4' energy: -129.381 flat angles P-C4'-P energy: -91.420 tors. eta vs tors. theta energy: -179.660 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: 7 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2061.194636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.194636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.194636 (E_RNA) where: Base-Base interactions energy: -1409.064 where: short stacking energy: -583.668 Base-Backbone interact. energy: -3.128 local terms energy: -649.003357 where: bonds (distance) C4'-P energy: -115.486 bonds (distance) P-C4' energy: -118.361 flat angles C4'-P-C4' energy: -136.637 flat angles P-C4'-P energy: -97.250 tors. eta vs tors. theta energy: -181.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1968.406534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.406534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.406534 (E_RNA) where: Base-Base interactions energy: -1338.489 where: short stacking energy: -523.929 Base-Backbone interact. energy: -1.458 local terms energy: -628.459647 where: bonds (distance) C4'-P energy: -117.660 bonds (distance) P-C4' energy: -126.388 flat angles C4'-P-C4' energy: -120.409 flat angles P-C4'-P energy: -93.683 tors. eta vs tors. theta energy: -170.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1858.007846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.007846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.007846 (E_RNA) where: Base-Base interactions energy: -1271.300 where: short stacking energy: -545.978 Base-Backbone interact. energy: -0.960 local terms energy: -585.747418 where: bonds (distance) C4'-P energy: -91.679 bonds (distance) P-C4' energy: -120.330 flat angles C4'-P-C4' energy: -140.940 flat angles P-C4'-P energy: -85.799 tors. eta vs tors. theta energy: -147.000 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: 3 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1654.564273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.564273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.564273 (E_RNA) where: Base-Base interactions energy: -1103.270 where: short stacking energy: -445.025 Base-Backbone interact. energy: 2.206 local terms energy: -553.499991 where: bonds (distance) C4'-P energy: -107.085 bonds (distance) P-C4' energy: -126.783 flat angles C4'-P-C4' energy: -122.041 flat angles P-C4'-P energy: -69.071 tors. eta vs tors. theta energy: -128.520 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: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1591.965616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.965616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.965616 (E_RNA) where: Base-Base interactions energy: -1050.706 where: short stacking energy: -449.736 Base-Backbone interact. energy: -2.143 local terms energy: -539.117243 where: bonds (distance) C4'-P energy: -116.734 bonds (distance) P-C4' energy: -100.943 flat angles C4'-P-C4' energy: -127.667 flat angles P-C4'-P energy: -64.173 tors. eta vs tors. theta energy: -129.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1156.150197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.150197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.150197 (E_RNA) where: Base-Base interactions energy: -722.287 where: short stacking energy: -325.856 Base-Backbone interact. energy: 0.749 local terms energy: -434.611496 where: bonds (distance) C4'-P energy: -94.893 bonds (distance) P-C4' energy: -104.608 flat angles C4'-P-C4' energy: -109.670 flat angles P-C4'-P energy: -60.996 tors. eta vs tors. theta energy: -64.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -948.136082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.136082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.136082 (E_RNA) where: Base-Base interactions energy: -567.408 where: short stacking energy: -288.129 Base-Backbone interact. energy: 3.249 local terms energy: -383.977423 where: bonds (distance) C4'-P energy: -107.166 bonds (distance) P-C4' energy: -120.030 flat angles C4'-P-C4' energy: -72.243 flat angles P-C4'-P energy: -65.141 tors. eta vs tors. theta energy: -19.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -593.571515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.571515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.571515 (E_RNA) where: Base-Base interactions energy: -233.173 where: short stacking energy: -165.652 Base-Backbone interact. energy: -2.088 local terms energy: -358.309715 where: bonds (distance) C4'-P energy: -96.550 bonds (distance) P-C4' energy: -106.315 flat angles C4'-P-C4' energy: -86.046 flat angles P-C4'-P energy: -69.911 tors. eta vs tors. theta energy: 0.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -451.429394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.429394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.429394 (E_RNA) where: Base-Base interactions energy: -184.342 where: short stacking energy: -119.967 Base-Backbone interact. energy: 5.004 local terms energy: -272.091135 where: bonds (distance) C4'-P energy: -93.613 bonds (distance) P-C4' energy: -78.451 flat angles C4'-P-C4' energy: -92.537 flat angles P-C4'-P energy: -47.881 tors. eta vs tors. theta energy: 40.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2194.613453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.613453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.613453 (E_RNA) where: Base-Base interactions energy: -1546.268 where: short stacking energy: -628.553 Base-Backbone interact. energy: 4.044 local terms energy: -652.389187 where: bonds (distance) C4'-P energy: -127.705 bonds (distance) P-C4' energy: -117.779 flat angles C4'-P-C4' energy: -127.291 flat angles P-C4'-P energy: -97.855 tors. eta vs tors. theta energy: -181.759 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: 7 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2098.178156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.178156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.178156 (E_RNA) where: Base-Base interactions energy: -1426.511 where: short stacking energy: -610.838 Base-Backbone interact. energy: -0.146 local terms energy: -671.521091 where: bonds (distance) C4'-P energy: -132.652 bonds (distance) P-C4' energy: -112.583 flat angles C4'-P-C4' energy: -139.062 flat angles P-C4'-P energy: -94.707 tors. eta vs tors. theta energy: -192.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1982.868603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.868603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.868603 (E_RNA) where: Base-Base interactions energy: -1349.032 where: short stacking energy: -549.555 Base-Backbone interact. energy: 5.559 local terms energy: -639.395430 where: bonds (distance) C4'-P energy: -129.357 bonds (distance) P-C4' energy: -114.010 flat angles C4'-P-C4' energy: -134.870 flat angles P-C4'-P energy: -78.533 tors. eta vs tors. theta energy: -182.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1833.717318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.717318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.717318 (E_RNA) where: Base-Base interactions energy: -1245.270 where: short stacking energy: -523.467 Base-Backbone interact. energy: -0.031 local terms energy: -588.416545 where: bonds (distance) C4'-P energy: -103.712 bonds (distance) P-C4' energy: -107.424 flat angles C4'-P-C4' energy: -123.987 flat angles P-C4'-P energy: -98.501 tors. eta vs tors. theta energy: -154.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1696.767634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.767634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.767634 (E_RNA) where: Base-Base interactions energy: -1171.877 where: short stacking energy: -456.949 Base-Backbone interact. energy: 2.421 local terms energy: -527.311237 where: bonds (distance) C4'-P energy: -109.247 bonds (distance) P-C4' energy: -118.791 flat angles C4'-P-C4' energy: -102.947 flat angles P-C4'-P energy: -72.138 tors. eta vs tors. theta energy: -124.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1604.876130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.876130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.876130 (E_RNA) where: Base-Base interactions energy: -1039.994 where: short stacking energy: -459.816 Base-Backbone interact. energy: -0.733 local terms energy: -564.149225 where: bonds (distance) C4'-P energy: -115.311 bonds (distance) P-C4' energy: -117.185 flat angles C4'-P-C4' energy: -116.650 flat angles P-C4'-P energy: -77.925 tors. eta vs tors. theta energy: -137.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1214.783109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.783109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.783109 (E_RNA) where: Base-Base interactions energy: -778.335 where: short stacking energy: -333.498 Base-Backbone interact. energy: 0.269 local terms energy: -436.717061 where: bonds (distance) C4'-P energy: -92.439 bonds (distance) P-C4' energy: -105.431 flat angles C4'-P-C4' energy: -102.987 flat angles P-C4'-P energy: -61.819 tors. eta vs tors. theta energy: -74.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -942.847889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.847889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.847889 (E_RNA) where: Base-Base interactions energy: -541.317 where: short stacking energy: -257.022 Base-Backbone interact. energy: -2.637 local terms energy: -398.893324 where: bonds (distance) C4'-P energy: -103.784 bonds (distance) P-C4' energy: -103.079 flat angles C4'-P-C4' energy: -99.883 flat angles P-C4'-P energy: -57.490 tors. eta vs tors. theta energy: -34.657 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: 9, replica: 8 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -608.555096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.555096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.555096 (E_RNA) where: Base-Base interactions energy: -247.916 where: short stacking energy: -153.804 Base-Backbone interact. energy: -3.260 local terms energy: -357.378979 where: bonds (distance) C4'-P energy: -101.497 bonds (distance) P-C4' energy: -117.733 flat angles C4'-P-C4' energy: -85.474 flat angles P-C4'-P energy: -62.216 tors. eta vs tors. theta energy: 9.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -475.671895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.671895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.671895 (E_RNA) where: Base-Base interactions energy: -182.766 where: short stacking energy: -133.408 Base-Backbone interact. energy: 3.580 local terms energy: -296.486184 where: bonds (distance) C4'-P energy: -103.145 bonds (distance) P-C4' energy: -94.142 flat angles C4'-P-C4' energy: -92.875 flat angles P-C4'-P energy: -33.471 tors. eta vs tors. theta energy: 27.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2179.999186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.999186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.999186 (E_RNA) where: Base-Base interactions energy: -1527.539 where: short stacking energy: -628.446 Base-Backbone interact. energy: -1.218 local terms energy: -651.242788 where: bonds (distance) C4'-P energy: -116.022 bonds (distance) P-C4' energy: -121.193 flat angles C4'-P-C4' energy: -131.155 flat angles P-C4'-P energy: -100.964 tors. eta vs tors. theta energy: -181.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2079.098249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.098249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.098249 (E_RNA) where: Base-Base interactions energy: -1429.739 where: short stacking energy: -582.137 Base-Backbone interact. energy: -0.138 local terms energy: -649.221896 where: bonds (distance) C4'-P energy: -121.620 bonds (distance) P-C4' energy: -121.968 flat angles C4'-P-C4' energy: -133.703 flat angles P-C4'-P energy: -95.769 tors. eta vs tors. theta energy: -176.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1984.369582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.369582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.369582 (E_RNA) where: Base-Base interactions energy: -1349.240 where: short stacking energy: -561.196 Base-Backbone interact. energy: -0.969 local terms energy: -634.160554 where: bonds (distance) C4'-P energy: -120.542 bonds (distance) P-C4' energy: -119.962 flat angles C4'-P-C4' energy: -132.277 flat angles P-C4'-P energy: -77.672 tors. eta vs tors. theta energy: -183.707 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: 5 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1774.699329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.699329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.699329 (E_RNA) where: Base-Base interactions energy: -1208.690 where: short stacking energy: -502.806 Base-Backbone interact. energy: -2.651 local terms energy: -563.359010 where: bonds (distance) C4'-P energy: -103.815 bonds (distance) P-C4' energy: -107.865 flat angles C4'-P-C4' energy: -119.953 flat angles P-C4'-P energy: -86.187 tors. eta vs tors. theta energy: -145.539 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: 5, replica: 3 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1665.641095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.641095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.641095 (E_RNA) where: Base-Base interactions energy: -1109.532 where: short stacking energy: -428.954 Base-Backbone interact. energy: -3.635 local terms energy: -552.473734 where: bonds (distance) C4'-P energy: -106.272 bonds (distance) P-C4' energy: -105.742 flat angles C4'-P-C4' energy: -127.880 flat angles P-C4'-P energy: -77.736 tors. eta vs tors. theta energy: -134.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1580.414754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.414754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.414754 (E_RNA) where: Base-Base interactions energy: -1067.974 where: short stacking energy: -440.642 Base-Backbone interact. energy: 2.825 local terms energy: -515.266092 where: bonds (distance) C4'-P energy: -90.500 bonds (distance) P-C4' energy: -100.098 flat angles C4'-P-C4' energy: -115.968 flat angles P-C4'-P energy: -81.918 tors. eta vs tors. theta energy: -126.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1153.458201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.458201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.458201 (E_RNA) where: Base-Base interactions energy: -734.473 where: short stacking energy: -324.428 Base-Backbone interact. energy: -0.446 local terms energy: -418.539693 where: bonds (distance) C4'-P energy: -103.436 bonds (distance) P-C4' energy: -95.896 flat angles C4'-P-C4' energy: -101.609 flat angles P-C4'-P energy: -56.917 tors. eta vs tors. theta energy: -60.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -921.167689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.167689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.167689 (E_RNA) where: Base-Base interactions energy: -538.395 where: short stacking energy: -249.089 Base-Backbone interact. energy: 3.849 local terms energy: -386.622581 where: bonds (distance) C4'-P energy: -98.883 bonds (distance) P-C4' energy: -93.107 flat angles C4'-P-C4' energy: -110.916 flat angles P-C4'-P energy: -52.655 tors. eta vs tors. theta energy: -31.061 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: 9, replica: 8 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -588.698087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.698087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.698087 (E_RNA) where: Base-Base interactions energy: -246.765 where: short stacking energy: -154.250 Base-Backbone interact. energy: -0.176 local terms energy: -341.756398 where: bonds (distance) C4'-P energy: -106.916 bonds (distance) P-C4' energy: -105.898 flat angles C4'-P-C4' energy: -85.497 flat angles P-C4'-P energy: -59.847 tors. eta vs tors. theta energy: 16.402 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: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -466.682996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.682996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.682996 (E_RNA) where: Base-Base interactions energy: -162.045 where: short stacking energy: -130.868 Base-Backbone interact. energy: -0.996 local terms energy: -303.642533 where: bonds (distance) C4'-P energy: -92.516 bonds (distance) P-C4' energy: -105.671 flat angles C4'-P-C4' energy: -86.533 flat angles P-C4'-P energy: -50.631 tors. eta vs tors. theta energy: 31.709 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: 1 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2203.812927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.812927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.812927 (E_RNA) where: Base-Base interactions energy: -1530.941 where: short stacking energy: -611.792 Base-Backbone interact. energy: -1.343 local terms energy: -671.528428 where: bonds (distance) C4'-P energy: -123.281 bonds (distance) P-C4' energy: -123.284 flat angles C4'-P-C4' energy: -148.950 flat angles P-C4'-P energy: -86.798 tors. eta vs tors. theta energy: -189.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2063.621035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.621035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.621035 (E_RNA) where: Base-Base interactions energy: -1419.403 where: short stacking energy: -579.064 Base-Backbone interact. energy: -4.320 local terms energy: -639.898233 where: bonds (distance) C4'-P energy: -124.626 bonds (distance) P-C4' energy: -116.868 flat angles C4'-P-C4' energy: -130.781 flat angles P-C4'-P energy: -77.775 tors. eta vs tors. theta energy: -189.847 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: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1961.344870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.344870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.344870 (E_RNA) where: Base-Base interactions energy: -1335.059 where: short stacking energy: -560.031 Base-Backbone interact. energy: -3.849 local terms energy: -622.437359 where: bonds (distance) C4'-P energy: -107.035 bonds (distance) P-C4' energy: -100.544 flat angles C4'-P-C4' energy: -141.988 flat angles P-C4'-P energy: -93.464 tors. eta vs tors. theta energy: -179.406 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: 5 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1776.119967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.119967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.119967 (E_RNA) where: Base-Base interactions energy: -1219.702 where: short stacking energy: -506.186 Base-Backbone interact. energy: -2.610 local terms energy: -553.807610 where: bonds (distance) C4'-P energy: -108.586 bonds (distance) P-C4' energy: -119.391 flat angles C4'-P-C4' energy: -114.037 flat angles P-C4'-P energy: -75.186 tors. eta vs tors. theta energy: -136.608 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: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1680.291186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.291186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.291186 (E_RNA) where: Base-Base interactions energy: -1104.592 where: short stacking energy: -499.771 Base-Backbone interact. energy: -1.142 local terms energy: -574.557552 where: bonds (distance) C4'-P energy: -105.181 bonds (distance) P-C4' energy: -118.510 flat angles C4'-P-C4' energy: -126.933 flat angles P-C4'-P energy: -75.285 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: 6, replica: 3 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1655.300376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.300376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.300376 (E_RNA) where: Base-Base interactions energy: -1100.326 where: short stacking energy: -476.273 Base-Backbone interact. energy: -3.070 local terms energy: -551.904403 where: bonds (distance) C4'-P energy: -90.477 bonds (distance) P-C4' energy: -113.672 flat angles C4'-P-C4' energy: -122.565 flat angles P-C4'-P energy: -76.913 tors. eta vs tors. theta energy: -148.278 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: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1171.980849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.980849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.980849 (E_RNA) where: Base-Base interactions energy: -755.347 where: short stacking energy: -348.343 Base-Backbone interact. energy: -0.953 local terms energy: -415.680212 where: bonds (distance) C4'-P energy: -86.385 bonds (distance) P-C4' energy: -112.218 flat angles C4'-P-C4' energy: -101.028 flat angles P-C4'-P energy: -57.318 tors. eta vs tors. theta energy: -58.731 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: 10 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -938.172020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.172020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.172020 (E_RNA) where: Base-Base interactions energy: -571.446 where: short stacking energy: -243.548 Base-Backbone interact. energy: 3.095 local terms energy: -369.821664 where: bonds (distance) C4'-P energy: -96.981 bonds (distance) P-C4' energy: -92.401 flat angles C4'-P-C4' energy: -85.854 flat angles P-C4'-P energy: -51.996 tors. eta vs tors. theta energy: -42.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -605.344558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.344558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.344558 (E_RNA) where: Base-Base interactions energy: -255.921 where: short stacking energy: -173.369 Base-Backbone interact. energy: 5.244 local terms energy: -354.667446 where: bonds (distance) C4'-P energy: -83.130 bonds (distance) P-C4' energy: -110.770 flat angles C4'-P-C4' energy: -85.619 flat angles P-C4'-P energy: -54.675 tors. eta vs tors. theta energy: -20.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -478.912179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.912179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.912179 (E_RNA) where: Base-Base interactions energy: -153.156 where: short stacking energy: -131.092 Base-Backbone interact. energy: 13.985 local terms energy: -339.741720 where: bonds (distance) C4'-P energy: -94.067 bonds (distance) P-C4' energy: -111.810 flat angles C4'-P-C4' energy: -90.870 flat angles P-C4'-P energy: -71.889 tors. eta vs tors. theta energy: 28.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2200.889529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.889529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.889529 (E_RNA) where: Base-Base interactions energy: -1546.397 where: short stacking energy: -639.797 Base-Backbone interact. energy: 0.680 local terms energy: -655.172771 where: bonds (distance) C4'-P energy: -121.217 bonds (distance) P-C4' energy: -104.648 flat angles C4'-P-C4' energy: -132.831 flat angles P-C4'-P energy: -110.123 tors. eta vs tors. theta energy: -186.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2080.536647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.536647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.536647 (E_RNA) where: Base-Base interactions energy: -1427.898 where: short stacking energy: -587.704 Base-Backbone interact. energy: -5.069 local terms energy: -647.569841 where: bonds (distance) C4'-P energy: -120.985 bonds (distance) P-C4' energy: -118.603 flat angles C4'-P-C4' energy: -126.956 flat angles P-C4'-P energy: -99.227 tors. eta vs tors. theta energy: -181.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1957.805153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.805153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.805153 (E_RNA) where: Base-Base interactions energy: -1336.812 where: short stacking energy: -562.253 Base-Backbone interact. energy: -3.220 local terms energy: -617.773377 where: bonds (distance) C4'-P energy: -101.826 bonds (distance) P-C4' energy: -123.031 flat angles C4'-P-C4' energy: -129.573 flat angles P-C4'-P energy: -84.345 tors. eta vs tors. theta energy: -178.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1769.339300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.339300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.339300 (E_RNA) where: Base-Base interactions energy: -1172.346 where: short stacking energy: -505.211 Base-Backbone interact. energy: -3.080 local terms energy: -593.913419 where: bonds (distance) C4'-P energy: -117.077 bonds (distance) P-C4' energy: -128.305 flat angles C4'-P-C4' energy: -115.870 flat angles P-C4'-P energy: -94.149 tors. eta vs tors. theta energy: -138.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1724.041137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.041137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.041137 (E_RNA) where: Base-Base interactions energy: -1142.207 where: short stacking energy: -510.145 Base-Backbone interact. energy: -2.858 local terms energy: -578.976501 where: bonds (distance) C4'-P energy: -104.395 bonds (distance) P-C4' energy: -121.324 flat angles C4'-P-C4' energy: -130.263 flat angles P-C4'-P energy: -75.550 tors. eta vs tors. theta energy: -147.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1671.677846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.677846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.677846 (E_RNA) where: Base-Base interactions energy: -1122.123 where: short stacking energy: -492.625 Base-Backbone interact. energy: -0.521 local terms energy: -549.033497 where: bonds (distance) C4'-P energy: -94.745 bonds (distance) P-C4' energy: -97.963 flat angles C4'-P-C4' energy: -122.815 flat angles P-C4'-P energy: -95.757 tors. eta vs tors. theta energy: -137.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1214.134335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.134335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.134335 (E_RNA) where: Base-Base interactions energy: -763.454 where: short stacking energy: -351.345 Base-Backbone interact. energy: -0.302 local terms energy: -450.378830 where: bonds (distance) C4'-P energy: -102.606 bonds (distance) P-C4' energy: -110.217 flat angles C4'-P-C4' energy: -114.947 flat angles P-C4'-P energy: -67.353 tors. eta vs tors. theta energy: -55.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -981.567133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.567133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.567133 (E_RNA) where: Base-Base interactions energy: -574.370 where: short stacking energy: -297.853 Base-Backbone interact. energy: 2.225 local terms energy: -409.422159 where: bonds (distance) C4'-P energy: -100.855 bonds (distance) P-C4' energy: -95.272 flat angles C4'-P-C4' energy: -104.862 flat angles P-C4'-P energy: -56.657 tors. eta vs tors. theta energy: -51.776 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: 8 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -601.863755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.863755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.863755 (E_RNA) where: Base-Base interactions energy: -243.773 where: short stacking energy: -160.472 Base-Backbone interact. energy: 0.570 local terms energy: -358.660745 where: bonds (distance) C4'-P energy: -121.893 bonds (distance) P-C4' energy: -103.739 flat angles C4'-P-C4' energy: -75.158 flat angles P-C4'-P energy: -62.282 tors. eta vs tors. theta energy: 4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -467.743977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.743977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.743977 (E_RNA) where: Base-Base interactions energy: -150.915 where: short stacking energy: -96.314 Base-Backbone interact. energy: -3.203 local terms energy: -313.626433 where: bonds (distance) C4'-P energy: -101.192 bonds (distance) P-C4' energy: -106.119 flat angles C4'-P-C4' energy: -83.380 flat angles P-C4'-P energy: -47.003 tors. eta vs tors. theta energy: 24.067 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: 1, replica: 1 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2175.075664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.075664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.075664 (E_RNA) where: Base-Base interactions energy: -1537.805 where: short stacking energy: -624.253 Base-Backbone interact. energy: -0.038 local terms energy: -637.233352 where: bonds (distance) C4'-P energy: -99.966 bonds (distance) P-C4' energy: -115.496 flat angles C4'-P-C4' energy: -139.480 flat angles P-C4'-P energy: -94.626 tors. eta vs tors. theta energy: -187.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2034.346519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.346519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.346519 (E_RNA) where: Base-Base interactions energy: -1389.807 where: short stacking energy: -561.826 Base-Backbone interact. energy: -3.538 local terms energy: -641.001875 where: bonds (distance) C4'-P energy: -123.245 bonds (distance) P-C4' energy: -123.168 flat angles C4'-P-C4' energy: -134.842 flat angles P-C4'-P energy: -87.358 tors. eta vs tors. theta energy: -172.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1985.521481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.521481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.521481 (E_RNA) where: Base-Base interactions energy: -1364.973 where: short stacking energy: -556.213 Base-Backbone interact. energy: -2.417 local terms energy: -618.131766 where: bonds (distance) C4'-P energy: -111.842 bonds (distance) P-C4' energy: -114.383 flat angles C4'-P-C4' energy: -122.082 flat angles P-C4'-P energy: -89.626 tors. eta vs tors. theta energy: -180.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1771.451861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.451861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.451861 (E_RNA) where: Base-Base interactions energy: -1192.801 where: short stacking energy: -523.742 Base-Backbone interact. energy: 0.742 local terms energy: -579.392730 where: bonds (distance) C4'-P energy: -110.700 bonds (distance) P-C4' energy: -113.161 flat angles C4'-P-C4' energy: -128.497 flat angles P-C4'-P energy: -72.147 tors. eta vs tors. theta energy: -154.888 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: 358 Temperature: 1.100000 Total energy: -1745.535023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.535023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.535023 (E_RNA) where: Base-Base interactions energy: -1154.376 where: short stacking energy: -495.409 Base-Backbone interact. energy: -3.612 local terms energy: -587.547397 where: bonds (distance) C4'-P energy: -110.095 bonds (distance) P-C4' energy: -120.547 flat angles C4'-P-C4' energy: -132.861 flat angles P-C4'-P energy: -79.883 tors. eta vs tors. theta energy: -144.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1646.920233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.920233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.920233 (E_RNA) where: Base-Base interactions energy: -1079.860 where: short stacking energy: -450.256 Base-Backbone interact. energy: -2.296 local terms energy: -564.764304 where: bonds (distance) C4'-P energy: -108.855 bonds (distance) P-C4' energy: -116.173 flat angles C4'-P-C4' energy: -122.110 flat angles P-C4'-P energy: -83.848 tors. eta vs tors. theta energy: -133.779 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: 358 Temperature: 1.200000 Total energy: -1215.655690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.655690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.655690 (E_RNA) where: Base-Base interactions energy: -769.908 where: short stacking energy: -326.310 Base-Backbone interact. energy: -2.284 local terms energy: -443.463881 where: bonds (distance) C4'-P energy: -103.211 bonds (distance) P-C4' energy: -120.027 flat angles C4'-P-C4' energy: -106.160 flat angles P-C4'-P energy: -49.482 tors. eta vs tors. theta energy: -64.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -913.706595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.706595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.706595 (E_RNA) where: Base-Base interactions energy: -533.710 where: short stacking energy: -256.401 Base-Backbone interact. energy: -3.309 local terms energy: -376.687953 where: bonds (distance) C4'-P energy: -87.169 bonds (distance) P-C4' energy: -112.317 flat angles C4'-P-C4' energy: -101.807 flat angles P-C4'-P energy: -48.895 tors. eta vs tors. theta energy: -26.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -583.388664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.388664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.388664 (E_RNA) where: Base-Base interactions energy: -275.684 where: short stacking energy: -172.541 Base-Backbone interact. energy: 2.098 local terms energy: -309.802640 where: bonds (distance) C4'-P energy: -86.560 bonds (distance) P-C4' energy: -111.717 flat angles C4'-P-C4' energy: -77.064 flat angles P-C4'-P energy: -40.732 tors. eta vs tors. theta energy: 6.271 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: 10, replica: 9 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -533.405673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.405673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.405673 (E_RNA) where: Base-Base interactions energy: -192.936 where: short stacking energy: -152.214 Base-Backbone interact. energy: -1.475 local terms energy: -338.995138 where: bonds (distance) C4'-P energy: -95.172 bonds (distance) P-C4' energy: -110.324 flat angles C4'-P-C4' energy: -96.554 flat angles P-C4'-P energy: -50.026 tors. eta vs tors. theta energy: 13.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2185.811857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.811857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.811857 (E_RNA) where: Base-Base interactions energy: -1516.611 where: short stacking energy: -616.641 Base-Backbone interact. energy: -3.254 local terms energy: -665.947026 where: bonds (distance) C4'-P energy: -119.619 bonds (distance) P-C4' energy: -132.383 flat angles C4'-P-C4' energy: -136.984 flat angles P-C4'-P energy: -94.388 tors. eta vs tors. theta energy: -182.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2047.639491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.639491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.639491 (E_RNA) where: Base-Base interactions energy: -1434.183 where: short stacking energy: -560.423 Base-Backbone interact. energy: 0.281 local terms energy: -613.737498 where: bonds (distance) C4'-P energy: -115.788 bonds (distance) P-C4' energy: -118.200 flat angles C4'-P-C4' energy: -132.921 flat angles P-C4'-P energy: -78.901 tors. eta vs tors. theta energy: -167.928 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: 4 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1974.715826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.715826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.715826 (E_RNA) where: Base-Base interactions energy: -1341.858 where: short stacking energy: -544.767 Base-Backbone interact. energy: -0.873 local terms energy: -631.985488 where: bonds (distance) C4'-P energy: -109.800 bonds (distance) P-C4' energy: -120.779 flat angles C4'-P-C4' energy: -131.308 flat angles P-C4'-P energy: -95.916 tors. eta vs tors. theta energy: -174.183 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: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1786.277629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.277629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.277629 (E_RNA) where: Base-Base interactions energy: -1194.381 where: short stacking energy: -511.999 Base-Backbone interact. energy: 1.167 local terms energy: -593.063449 where: bonds (distance) C4'-P energy: -115.183 bonds (distance) P-C4' energy: -120.611 flat angles C4'-P-C4' energy: -131.289 flat angles P-C4'-P energy: -79.580 tors. eta vs tors. theta energy: -146.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1749.456362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.456362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.456362 (E_RNA) where: Base-Base interactions energy: -1187.281 where: short stacking energy: -493.699 Base-Backbone interact. energy: -1.638 local terms energy: -560.537424 where: bonds (distance) C4'-P energy: -101.049 bonds (distance) P-C4' energy: -115.480 flat angles C4'-P-C4' energy: -130.221 flat angles P-C4'-P energy: -79.475 tors. eta vs tors. theta energy: -134.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1593.662849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.662849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.662849 (E_RNA) where: Base-Base interactions energy: -1041.982 where: short stacking energy: -442.417 Base-Backbone interact. energy: 2.147 local terms energy: -553.827721 where: bonds (distance) C4'-P energy: -101.596 bonds (distance) P-C4' energy: -124.710 flat angles C4'-P-C4' energy: -118.714 flat angles P-C4'-P energy: -84.782 tors. eta vs tors. theta energy: -124.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1218.138496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.138496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.138496 (E_RNA) where: Base-Base interactions energy: -774.612 where: short stacking energy: -336.234 Base-Backbone interact. energy: 2.328 local terms energy: -445.854565 where: bonds (distance) C4'-P energy: -93.597 bonds (distance) P-C4' energy: -117.124 flat angles C4'-P-C4' energy: -101.237 flat angles P-C4'-P energy: -79.941 tors. eta vs tors. theta energy: -53.956 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: 10 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -902.365406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.365406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.365406 (E_RNA) where: Base-Base interactions energy: -524.646 where: short stacking energy: -242.243 Base-Backbone interact. energy: 2.227 local terms energy: -379.945884 where: bonds (distance) C4'-P energy: -88.066 bonds (distance) P-C4' energy: -108.992 flat angles C4'-P-C4' energy: -106.593 flat angles P-C4'-P energy: -47.029 tors. eta vs tors. theta energy: -29.266 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: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -609.254199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.254199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.254199 (E_RNA) where: Base-Base interactions energy: -278.532 where: short stacking energy: -182.629 Base-Backbone interact. energy: 2.605 local terms energy: -333.327923 where: bonds (distance) C4'-P energy: -95.135 bonds (distance) P-C4' energy: -81.964 flat angles C4'-P-C4' energy: -104.131 flat angles P-C4'-P energy: -55.869 tors. eta vs tors. theta energy: 3.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -442.448425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.448425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.448425 (E_RNA) where: Base-Base interactions energy: -150.400 where: short stacking energy: -125.253 Base-Backbone interact. energy: 0.180 local terms energy: -292.227644 where: bonds (distance) C4'-P energy: -84.472 bonds (distance) P-C4' energy: -104.564 flat angles C4'-P-C4' energy: -89.870 flat angles P-C4'-P energy: -46.858 tors. eta vs tors. theta energy: 33.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2177.185337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.185337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.185337 (E_RNA) where: Base-Base interactions energy: -1503.029 where: short stacking energy: -616.311 Base-Backbone interact. energy: -4.987 local terms energy: -669.169741 where: bonds (distance) C4'-P energy: -107.299 bonds (distance) P-C4' energy: -125.615 flat angles C4'-P-C4' energy: -143.030 flat angles P-C4'-P energy: -111.847 tors. eta vs tors. theta energy: -181.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2067.652917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.652917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.652917 (E_RNA) where: Base-Base interactions energy: -1451.589 where: short stacking energy: -565.606 Base-Backbone interact. energy: -2.162 local terms energy: -613.902232 where: bonds (distance) C4'-P energy: -114.350 bonds (distance) P-C4' energy: -110.274 flat angles C4'-P-C4' energy: -125.398 flat angles P-C4'-P energy: -93.421 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: 3, replica: 4 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1984.567242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.567242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.567242 (E_RNA) where: Base-Base interactions energy: -1336.152 where: short stacking energy: -575.373 Base-Backbone interact. energy: -3.123 local terms energy: -645.292113 where: bonds (distance) C4'-P energy: -110.041 bonds (distance) P-C4' energy: -127.604 flat angles C4'-P-C4' energy: -133.416 flat angles P-C4'-P energy: -87.358 tors. eta vs tors. theta energy: -186.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1770.258044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.258044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.258044 (E_RNA) where: Base-Base interactions energy: -1202.066 where: short stacking energy: -507.561 Base-Backbone interact. energy: -1.279 local terms energy: -566.912451 where: bonds (distance) C4'-P energy: -99.476 bonds (distance) P-C4' energy: -111.772 flat angles C4'-P-C4' energy: -133.874 flat angles P-C4'-P energy: -74.090 tors. eta vs tors. theta energy: -147.701 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: 5, replica: 5 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1746.415251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.415251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.415251 (E_RNA) where: Base-Base interactions energy: -1170.457 where: short stacking energy: -491.377 Base-Backbone interact. energy: -1.308 local terms energy: -574.650264 where: bonds (distance) C4'-P energy: -103.130 bonds (distance) P-C4' energy: -118.660 flat angles C4'-P-C4' energy: -135.808 flat angles P-C4'-P energy: -73.504 tors. eta vs tors. theta energy: -143.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1648.493617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.493617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.493617 (E_RNA) where: Base-Base interactions energy: -1122.926 where: short stacking energy: -490.262 Base-Backbone interact. energy: -0.967 local terms energy: -524.601392 where: bonds (distance) C4'-P energy: -97.721 bonds (distance) P-C4' energy: -94.614 flat angles C4'-P-C4' energy: -110.121 flat angles P-C4'-P energy: -68.201 tors. eta vs tors. theta energy: -153.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1196.828169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.828169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.828169 (E_RNA) where: Base-Base interactions energy: -730.551 where: short stacking energy: -307.249 Base-Backbone interact. energy: -1.104 local terms energy: -465.172597 where: bonds (distance) C4'-P energy: -101.092 bonds (distance) P-C4' energy: -126.716 flat angles C4'-P-C4' energy: -104.619 flat angles P-C4'-P energy: -68.279 tors. eta vs tors. theta energy: -64.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -987.267749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.267749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.267749 (E_RNA) where: Base-Base interactions energy: -592.172 where: short stacking energy: -253.189 Base-Backbone interact. energy: -2.548 local terms energy: -392.548475 where: bonds (distance) C4'-P energy: -104.390 bonds (distance) P-C4' energy: -96.300 flat angles C4'-P-C4' energy: -96.835 flat angles P-C4'-P energy: -53.856 tors. eta vs tors. theta energy: -41.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -612.267997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.267997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.267997 (E_RNA) where: Base-Base interactions energy: -287.590 where: short stacking energy: -174.391 Base-Backbone interact. energy: -1.037 local terms energy: -323.640248 where: bonds (distance) C4'-P energy: -93.364 bonds (distance) P-C4' energy: -87.369 flat angles C4'-P-C4' energy: -96.281 flat angles P-C4'-P energy: -58.271 tors. eta vs tors. theta energy: 11.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -455.030931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.030931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.030931 (E_RNA) where: Base-Base interactions energy: -151.233 where: short stacking energy: -124.472 Base-Backbone interact. energy: -3.281 local terms energy: -300.516658 where: bonds (distance) C4'-P energy: -80.432 bonds (distance) P-C4' energy: -106.175 flat angles C4'-P-C4' energy: -99.646 flat angles P-C4'-P energy: -30.195 tors. eta vs tors. theta energy: 15.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2167.372125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.372125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.372125 (E_RNA) where: Base-Base interactions energy: -1516.298 where: short stacking energy: -612.599 Base-Backbone interact. energy: -1.509 local terms energy: -649.565323 where: bonds (distance) C4'-P energy: -128.309 bonds (distance) P-C4' energy: -129.837 flat angles C4'-P-C4' energy: -130.007 flat angles P-C4'-P energy: -87.479 tors. eta vs tors. theta energy: -173.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2060.101051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.101051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.101051 (E_RNA) where: Base-Base interactions energy: -1422.478 where: short stacking energy: -580.602 Base-Backbone interact. energy: -2.073 local terms energy: -635.549845 where: bonds (distance) C4'-P energy: -109.302 bonds (distance) P-C4' energy: -124.577 flat angles C4'-P-C4' energy: -122.135 flat angles P-C4'-P energy: -99.775 tors. eta vs tors. theta energy: -179.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2013.525013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.525013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.525013 (E_RNA) where: Base-Base interactions energy: -1375.388 where: short stacking energy: -564.057 Base-Backbone interact. energy: -3.420 local terms energy: -634.717292 where: bonds (distance) C4'-P energy: -121.193 bonds (distance) P-C4' energy: -122.774 flat angles C4'-P-C4' energy: -127.847 flat angles P-C4'-P energy: -89.639 tors. eta vs tors. theta energy: -173.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1868.529384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.529384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.529384 (E_RNA) where: Base-Base interactions energy: -1238.584 where: short stacking energy: -521.053 Base-Backbone interact. energy: -3.169 local terms energy: -626.776704 where: bonds (distance) C4'-P energy: -125.355 bonds (distance) P-C4' energy: -124.927 flat angles C4'-P-C4' energy: -140.160 flat angles P-C4'-P energy: -79.921 tors. eta vs tors. theta energy: -156.414 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: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1678.812975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.812975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.812975 (E_RNA) where: Base-Base interactions energy: -1128.874 where: short stacking energy: -474.364 Base-Backbone interact. energy: 0.457 local terms energy: -550.396259 where: bonds (distance) C4'-P energy: -86.019 bonds (distance) P-C4' energy: -119.200 flat angles C4'-P-C4' energy: -117.108 flat angles P-C4'-P energy: -88.099 tors. eta vs tors. theta energy: -139.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1597.150550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.150550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.150550 (E_RNA) where: Base-Base interactions energy: -1064.644 where: short stacking energy: -443.748 Base-Backbone interact. energy: -4.165 local terms energy: -528.341670 where: bonds (distance) C4'-P energy: -111.958 bonds (distance) P-C4' energy: -98.962 flat angles C4'-P-C4' energy: -123.247 flat angles P-C4'-P energy: -73.644 tors. eta vs tors. theta energy: -120.531 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: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1127.847963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.847963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.847963 (E_RNA) where: Base-Base interactions energy: -705.761 where: short stacking energy: -316.373 Base-Backbone interact. energy: -0.639 local terms energy: -421.447978 where: bonds (distance) C4'-P energy: -95.048 bonds (distance) P-C4' energy: -116.957 flat angles C4'-P-C4' energy: -99.364 flat angles P-C4'-P energy: -61.924 tors. eta vs tors. theta energy: -48.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -989.673542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.673542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.673542 (E_RNA) where: Base-Base interactions energy: -607.076 where: short stacking energy: -277.260 Base-Backbone interact. energy: -2.138 local terms energy: -380.458892 where: bonds (distance) C4'-P energy: -83.380 bonds (distance) P-C4' energy: -118.711 flat angles C4'-P-C4' energy: -97.419 flat angles P-C4'-P energy: -57.037 tors. eta vs tors. theta energy: -23.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -608.782775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.782775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.782775 (E_RNA) where: Base-Base interactions energy: -239.279 where: short stacking energy: -164.948 Base-Backbone interact. energy: -1.533 local terms energy: -367.971038 where: bonds (distance) C4'-P energy: -108.239 bonds (distance) P-C4' energy: -101.185 flat angles C4'-P-C4' energy: -101.814 flat angles P-C4'-P energy: -53.984 tors. eta vs tors. theta energy: -2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -457.691026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.691026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.691026 (E_RNA) where: Base-Base interactions energy: -147.646 where: short stacking energy: -138.053 Base-Backbone interact. energy: -0.442 local terms energy: -309.602950 where: bonds (distance) C4'-P energy: -96.796 bonds (distance) P-C4' energy: -85.448 flat angles C4'-P-C4' energy: -76.119 flat angles P-C4'-P energy: -64.574 tors. eta vs tors. theta energy: 13.335 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: 1 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2176.609304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.609304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.609304 (E_RNA) where: Base-Base interactions energy: -1513.287 where: short stacking energy: -597.710 Base-Backbone interact. energy: -1.926 local terms energy: -661.395443 where: bonds (distance) C4'-P energy: -125.923 bonds (distance) P-C4' energy: -117.277 flat angles C4'-P-C4' energy: -140.681 flat angles P-C4'-P energy: -98.501 tors. eta vs tors. theta energy: -179.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2057.915419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.915419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.915419 (E_RNA) where: Base-Base interactions energy: -1424.854 where: short stacking energy: -561.861 Base-Backbone interact. energy: -1.395 local terms energy: -631.665840 where: bonds (distance) C4'-P energy: -110.116 bonds (distance) P-C4' energy: -117.072 flat angles C4'-P-C4' energy: -136.773 flat angles P-C4'-P energy: -90.994 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: 3, replica: 4 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1973.795051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.795051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.795051 (E_RNA) where: Base-Base interactions energy: -1301.230 where: short stacking energy: -544.715 Base-Backbone interact. energy: 3.529 local terms energy: -676.094012 where: bonds (distance) C4'-P energy: -128.067 bonds (distance) P-C4' energy: -133.493 flat angles C4'-P-C4' energy: -139.148 flat angles P-C4'-P energy: -97.268 tors. eta vs tors. theta energy: -178.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1854.127004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.127004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.127004 (E_RNA) where: Base-Base interactions energy: -1254.010 where: short stacking energy: -513.972 Base-Backbone interact. energy: 1.201 local terms energy: -601.317448 where: bonds (distance) C4'-P energy: -112.037 bonds (distance) P-C4' energy: -130.263 flat angles C4'-P-C4' energy: -131.735 flat angles P-C4'-P energy: -91.245 tors. eta vs tors. theta energy: -136.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1657.994678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.994678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.994678 (E_RNA) where: Base-Base interactions energy: -1110.680 where: short stacking energy: -467.940 Base-Backbone interact. energy: -2.417 local terms energy: -544.896999 where: bonds (distance) C4'-P energy: -105.849 bonds (distance) P-C4' energy: -94.929 flat angles C4'-P-C4' energy: -125.148 flat angles P-C4'-P energy: -78.644 tors. eta vs tors. theta energy: -140.328 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: 3 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1598.037606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.037606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.037606 (E_RNA) where: Base-Base interactions energy: -1040.951 where: short stacking energy: -457.787 Base-Backbone interact. energy: -3.682 local terms energy: -553.403867 where: bonds (distance) C4'-P energy: -99.370 bonds (distance) P-C4' energy: -123.112 flat angles C4'-P-C4' energy: -122.659 flat angles P-C4'-P energy: -76.091 tors. eta vs tors. theta energy: -132.172 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: 7, replica: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1179.604284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.604284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.604284 (E_RNA) where: Base-Base interactions energy: -738.494 where: short stacking energy: -322.484 Base-Backbone interact. energy: -0.357 local terms energy: -440.753112 where: bonds (distance) C4'-P energy: -101.567 bonds (distance) P-C4' energy: -114.977 flat angles C4'-P-C4' energy: -103.235 flat angles P-C4'-P energy: -59.452 tors. eta vs tors. theta energy: -61.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1034.528870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.528870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.528870 (E_RNA) where: Base-Base interactions energy: -619.693 where: short stacking energy: -310.363 Base-Backbone interact. energy: -2.580 local terms energy: -412.256596 where: bonds (distance) C4'-P energy: -106.843 bonds (distance) P-C4' energy: -105.114 flat angles C4'-P-C4' energy: -98.905 flat angles P-C4'-P energy: -61.070 tors. eta vs tors. theta energy: -40.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -603.214480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.214480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.214480 (E_RNA) where: Base-Base interactions energy: -286.099 where: short stacking energy: -177.747 Base-Backbone interact. energy: -1.032 local terms energy: -316.083607 where: bonds (distance) C4'-P energy: -105.624 bonds (distance) P-C4' energy: -96.269 flat angles C4'-P-C4' energy: -83.014 flat angles P-C4'-P energy: -32.346 tors. eta vs tors. theta energy: 1.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -462.269162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.269162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.269162 (E_RNA) where: Base-Base interactions energy: -163.364 where: short stacking energy: -134.056 Base-Backbone interact. energy: -1.039 local terms energy: -297.866559 where: bonds (distance) C4'-P energy: -88.167 bonds (distance) P-C4' energy: -84.237 flat angles C4'-P-C4' energy: -100.709 flat angles P-C4'-P energy: -46.732 tors. eta vs tors. theta energy: 21.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2197.586546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.586546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.586546 (E_RNA) where: Base-Base interactions energy: -1534.147 where: short stacking energy: -632.582 Base-Backbone interact. energy: 0.025 local terms energy: -663.464962 where: bonds (distance) C4'-P energy: -121.370 bonds (distance) P-C4' energy: -118.275 flat angles C4'-P-C4' energy: -140.796 flat angles P-C4'-P energy: -97.871 tors. eta vs tors. theta energy: -185.154 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: 7 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2021.653257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.653257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.653257 (E_RNA) where: Base-Base interactions energy: -1410.248 where: short stacking energy: -572.520 Base-Backbone interact. energy: -3.023 local terms energy: -608.382148 where: bonds (distance) C4'-P energy: -107.739 bonds (distance) P-C4' energy: -117.145 flat angles C4'-P-C4' energy: -131.051 flat angles P-C4'-P energy: -81.863 tors. eta vs tors. theta energy: -170.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1965.489705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.489705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.489705 (E_RNA) where: Base-Base interactions energy: -1325.017 where: short stacking energy: -575.983 Base-Backbone interact. energy: 1.527 local terms energy: -641.999932 where: bonds (distance) C4'-P energy: -105.070 bonds (distance) P-C4' energy: -114.866 flat angles C4'-P-C4' energy: -142.378 flat angles P-C4'-P energy: -93.052 tors. eta vs tors. theta energy: -186.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1831.060119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.060119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.060119 (E_RNA) where: Base-Base interactions energy: -1241.943 where: short stacking energy: -504.123 Base-Backbone interact. energy: 2.325 local terms energy: -591.443006 where: bonds (distance) C4'-P energy: -116.387 bonds (distance) P-C4' energy: -121.969 flat angles C4'-P-C4' energy: -127.671 flat angles P-C4'-P energy: -90.816 tors. eta vs tors. theta energy: -134.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1696.438522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.438522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.438522 (E_RNA) where: Base-Base interactions energy: -1124.499 where: short stacking energy: -491.288 Base-Backbone interact. energy: -0.682 local terms energy: -571.257016 where: bonds (distance) C4'-P energy: -111.115 bonds (distance) P-C4' energy: -119.857 flat angles C4'-P-C4' energy: -124.608 flat angles P-C4'-P energy: -74.823 tors. eta vs tors. theta energy: -140.854 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: 3 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1624.390905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.390905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.390905 (E_RNA) where: Base-Base interactions energy: -1092.230 where: short stacking energy: -470.178 Base-Backbone interact. energy: 7.131 local terms energy: -539.292198 where: bonds (distance) C4'-P energy: -109.366 bonds (distance) P-C4' energy: -111.666 flat angles C4'-P-C4' energy: -102.578 flat angles P-C4'-P energy: -77.326 tors. eta vs tors. theta energy: -138.357 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: 363 Temperature: 1.200000 Total energy: -1192.301796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.301796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.301796 (E_RNA) where: Base-Base interactions energy: -735.134 where: short stacking energy: -325.907 Base-Backbone interact. energy: 6.664 local terms energy: -463.831247 where: bonds (distance) C4'-P energy: -113.627 bonds (distance) P-C4' energy: -116.489 flat angles C4'-P-C4' energy: -102.089 flat angles P-C4'-P energy: -59.732 tors. eta vs tors. theta energy: -71.894 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: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -996.371750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.371750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.371750 (E_RNA) where: Base-Base interactions energy: -637.347 where: short stacking energy: -270.609 Base-Backbone interact. energy: 0.792 local terms energy: -359.816632 where: bonds (distance) C4'-P energy: -99.570 bonds (distance) P-C4' energy: -99.078 flat angles C4'-P-C4' energy: -82.417 flat angles P-C4'-P energy: -54.136 tors. eta vs tors. theta energy: -24.616 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: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -663.453892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.453892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.453892 (E_RNA) where: Base-Base interactions energy: -323.533 where: short stacking energy: -212.679 Base-Backbone interact. energy: 4.734 local terms energy: -344.654137 where: bonds (distance) C4'-P energy: -91.856 bonds (distance) P-C4' energy: -83.343 flat angles C4'-P-C4' energy: -102.378 flat angles P-C4'-P energy: -53.193 tors. eta vs tors. theta energy: -13.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -462.155849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.155849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.155849 (E_RNA) where: Base-Base interactions energy: -151.919 where: short stacking energy: -112.613 Base-Backbone interact. energy: 0.667 local terms energy: -310.904226 where: bonds (distance) C4'-P energy: -106.119 bonds (distance) P-C4' energy: -104.113 flat angles C4'-P-C4' energy: -81.075 flat angles P-C4'-P energy: -54.400 tors. eta vs tors. theta energy: 34.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2193.189386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.189386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.189386 (E_RNA) where: Base-Base interactions energy: -1561.110 where: short stacking energy: -634.371 Base-Backbone interact. energy: -0.216 local terms energy: -631.863384 where: bonds (distance) C4'-P energy: -105.367 bonds (distance) P-C4' energy: -120.462 flat angles C4'-P-C4' energy: -136.053 flat angles P-C4'-P energy: -84.731 tors. eta vs tors. theta energy: -185.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2074.731694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.731694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.731694 (E_RNA) where: Base-Base interactions energy: -1400.708 where: short stacking energy: -586.613 Base-Backbone interact. energy: -1.305 local terms energy: -672.718583 where: bonds (distance) C4'-P energy: -133.937 bonds (distance) P-C4' energy: -122.331 flat angles C4'-P-C4' energy: -135.310 flat angles P-C4'-P energy: -106.628 tors. eta vs tors. theta energy: -174.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1976.714168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.714168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.714168 (E_RNA) where: Base-Base interactions energy: -1351.190 where: short stacking energy: -582.516 Base-Backbone interact. energy: -1.960 local terms energy: -623.563951 where: bonds (distance) C4'-P energy: -103.318 bonds (distance) P-C4' energy: -118.137 flat angles C4'-P-C4' energy: -140.504 flat angles P-C4'-P energy: -90.876 tors. eta vs tors. theta energy: -170.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1861.145547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.145547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.145547 (E_RNA) where: Base-Base interactions energy: -1283.532 where: short stacking energy: -547.589 Base-Backbone interact. energy: -2.666 local terms energy: -574.948409 where: bonds (distance) C4'-P energy: -105.700 bonds (distance) P-C4' energy: -105.735 flat angles C4'-P-C4' energy: -129.323 flat angles P-C4'-P energy: -87.276 tors. eta vs tors. theta energy: -146.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1682.453941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.453941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.453941 (E_RNA) where: Base-Base interactions energy: -1136.881 where: short stacking energy: -487.577 Base-Backbone interact. energy: 0.992 local terms energy: -546.564089 where: bonds (distance) C4'-P energy: -111.432 bonds (distance) P-C4' energy: -103.373 flat angles C4'-P-C4' energy: -117.211 flat angles P-C4'-P energy: -66.734 tors. eta vs tors. theta energy: -147.814 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: 3 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1620.953121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.953121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.953121 (E_RNA) where: Base-Base interactions energy: -1089.901 where: short stacking energy: -445.387 Base-Backbone interact. energy: -0.826 local terms energy: -530.225975 where: bonds (distance) C4'-P energy: -95.332 bonds (distance) P-C4' energy: -119.917 flat angles C4'-P-C4' energy: -117.522 flat angles P-C4'-P energy: -68.727 tors. eta vs tors. theta energy: -128.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1194.822633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.822633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.822633 (E_RNA) where: Base-Base interactions energy: -755.763 where: short stacking energy: -316.487 Base-Backbone interact. energy: -1.009 local terms energy: -438.051029 where: bonds (distance) C4'-P energy: -114.102 bonds (distance) P-C4' energy: -99.247 flat angles C4'-P-C4' energy: -111.065 flat angles P-C4'-P energy: -52.414 tors. eta vs tors. theta energy: -61.223 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: 8, replica: 10 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -963.197345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.197345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.197345 (E_RNA) where: Base-Base interactions energy: -566.264 where: short stacking energy: -253.759 Base-Backbone interact. energy: 1.879 local terms energy: -398.812553 where: bonds (distance) C4'-P energy: -91.352 bonds (distance) P-C4' energy: -99.531 flat angles C4'-P-C4' energy: -99.087 flat angles P-C4'-P energy: -77.967 tors. eta vs tors. theta energy: -30.875 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: 8 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -627.863507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.863507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.863507 (E_RNA) where: Base-Base interactions energy: -268.574 where: short stacking energy: -157.870 Base-Backbone interact. energy: 6.953 local terms energy: -366.242306 where: bonds (distance) C4'-P energy: -101.525 bonds (distance) P-C4' energy: -102.465 flat angles C4'-P-C4' energy: -104.064 flat angles P-C4'-P energy: -62.500 tors. eta vs tors. theta energy: 4.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -484.448814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.448814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.448814 (E_RNA) where: Base-Base interactions energy: -163.642 where: short stacking energy: -113.402 Base-Backbone interact. energy: -0.566 local terms energy: -320.240435 where: bonds (distance) C4'-P energy: -103.248 bonds (distance) P-C4' energy: -94.415 flat angles C4'-P-C4' energy: -80.909 flat angles P-C4'-P energy: -65.590 tors. eta vs tors. theta energy: 23.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2171.416443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.416443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.416443 (E_RNA) where: Base-Base interactions energy: -1531.000 where: short stacking energy: -610.540 Base-Backbone interact. energy: 0.975 local terms energy: -641.391375 where: bonds (distance) C4'-P energy: -100.286 bonds (distance) P-C4' energy: -112.798 flat angles C4'-P-C4' energy: -143.593 flat angles P-C4'-P energy: -98.385 tors. eta vs tors. theta energy: -186.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2096.082292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.082292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.082292 (E_RNA) where: Base-Base interactions energy: -1436.238 where: short stacking energy: -609.728 Base-Backbone interact. energy: -4.155 local terms energy: -655.689576 where: bonds (distance) C4'-P energy: -109.235 bonds (distance) P-C4' energy: -128.750 flat angles C4'-P-C4' energy: -138.045 flat angles P-C4'-P energy: -94.223 tors. eta vs tors. theta energy: -185.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1960.829826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.829826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.829826 (E_RNA) where: Base-Base interactions energy: -1338.552 where: short stacking energy: -578.839 Base-Backbone interact. energy: -3.868 local terms energy: -618.409482 where: bonds (distance) C4'-P energy: -103.631 bonds (distance) P-C4' energy: -124.209 flat angles C4'-P-C4' energy: -125.321 flat angles P-C4'-P energy: -92.728 tors. eta vs tors. theta energy: -172.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1824.660896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.660896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.660896 (E_RNA) where: Base-Base interactions energy: -1282.344 where: short stacking energy: -524.437 Base-Backbone interact. energy: 1.425 local terms energy: -543.742423 where: bonds (distance) C4'-P energy: -86.595 bonds (distance) P-C4' energy: -111.964 flat angles C4'-P-C4' energy: -129.212 flat angles P-C4'-P energy: -74.789 tors. eta vs tors. theta energy: -141.183 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: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1697.828282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.828282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.828282 (E_RNA) where: Base-Base interactions energy: -1117.736 where: short stacking energy: -494.960 Base-Backbone interact. energy: 1.812 local terms energy: -581.904559 where: bonds (distance) C4'-P energy: -117.763 bonds (distance) P-C4' energy: -116.276 flat angles C4'-P-C4' energy: -122.467 flat angles P-C4'-P energy: -74.242 tors. eta vs tors. theta energy: -151.156 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: 6, replica: 3 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1541.660764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.660764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.660764 (E_RNA) where: Base-Base interactions energy: -1028.170 where: short stacking energy: -448.898 Base-Backbone interact. energy: -1.852 local terms energy: -511.638077 where: bonds (distance) C4'-P energy: -87.910 bonds (distance) P-C4' energy: -101.529 flat angles C4'-P-C4' energy: -110.227 flat angles P-C4'-P energy: -69.717 tors. eta vs tors. theta energy: -142.257 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: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1201.454809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.454809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.454809 (E_RNA) where: Base-Base interactions energy: -734.966 where: short stacking energy: -307.305 Base-Backbone interact. energy: 1.165 local terms energy: -467.653555 where: bonds (distance) C4'-P energy: -96.638 bonds (distance) P-C4' energy: -119.800 flat angles C4'-P-C4' energy: -108.089 flat angles P-C4'-P energy: -77.084 tors. eta vs tors. theta energy: -66.043 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: 8, replica: 10 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -972.868030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.868030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.868030 (E_RNA) where: Base-Base interactions energy: -584.307 where: short stacking energy: -286.826 Base-Backbone interact. energy: 3.683 local terms energy: -392.244009 where: bonds (distance) C4'-P energy: -81.756 bonds (distance) P-C4' energy: -89.702 flat angles C4'-P-C4' energy: -108.096 flat angles P-C4'-P energy: -66.036 tors. eta vs tors. theta energy: -46.654 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: 9, replica: 8 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -602.630520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.630520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.630520 (E_RNA) where: Base-Base interactions energy: -286.325 where: short stacking energy: -192.437 Base-Backbone interact. energy: 1.666 local terms energy: -317.970996 where: bonds (distance) C4'-P energy: -100.869 bonds (distance) P-C4' energy: -113.518 flat angles C4'-P-C4' energy: -80.827 flat angles P-C4'-P energy: -32.735 tors. eta vs tors. theta energy: 9.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -470.917166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.917166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.917166 (E_RNA) where: Base-Base interactions energy: -181.227 where: short stacking energy: -135.379 Base-Backbone interact. energy: 0.061 local terms energy: -289.750649 where: bonds (distance) C4'-P energy: -89.715 bonds (distance) P-C4' energy: -94.948 flat angles C4'-P-C4' energy: -78.256 flat angles P-C4'-P energy: -42.887 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: 1, replica: 1 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2159.243307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.243307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.243307 (E_RNA) where: Base-Base interactions energy: -1496.834 where: short stacking energy: -603.074 Base-Backbone interact. energy: -6.367 local terms energy: -656.042409 where: bonds (distance) C4'-P energy: -123.874 bonds (distance) P-C4' energy: -118.693 flat angles C4'-P-C4' energy: -137.792 flat angles P-C4'-P energy: -96.349 tors. eta vs tors. theta energy: -179.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2044.169326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.169326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.169326 (E_RNA) where: Base-Base interactions energy: -1377.883 where: short stacking energy: -557.931 Base-Backbone interact. energy: -3.280 local terms energy: -663.005875 where: bonds (distance) C4'-P energy: -123.140 bonds (distance) P-C4' energy: -124.033 flat angles C4'-P-C4' energy: -144.736 flat angles P-C4'-P energy: -86.899 tors. eta vs tors. theta energy: -184.197 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: 4 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1985.968755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.968755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.968755 (E_RNA) where: Base-Base interactions energy: -1321.461 where: short stacking energy: -562.780 Base-Backbone interact. energy: -5.810 local terms energy: -658.697771 where: bonds (distance) C4'-P energy: -127.086 bonds (distance) P-C4' energy: -126.655 flat angles C4'-P-C4' energy: -125.616 flat angles P-C4'-P energy: -97.093 tors. eta vs tors. theta energy: -182.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1835.221852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.221852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.221852 (E_RNA) where: Base-Base interactions energy: -1252.622 where: short stacking energy: -525.195 Base-Backbone interact. energy: -0.649 local terms energy: -581.951065 where: bonds (distance) C4'-P energy: -102.770 bonds (distance) P-C4' energy: -119.176 flat angles C4'-P-C4' energy: -125.848 flat angles P-C4'-P energy: -86.692 tors. eta vs tors. theta energy: -147.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1664.543087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.543087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.543087 (E_RNA) where: Base-Base interactions energy: -1093.894 where: short stacking energy: -480.382 Base-Backbone interact. energy: -1.943 local terms energy: -568.706141 where: bonds (distance) C4'-P energy: -111.956 bonds (distance) P-C4' energy: -112.345 flat angles C4'-P-C4' energy: -122.853 flat angles P-C4'-P energy: -78.569 tors. eta vs tors. theta energy: -142.983 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: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1535.599310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.599310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.599310 (E_RNA) where: Base-Base interactions energy: -1045.753 where: short stacking energy: -432.882 Base-Backbone interact. energy: 0.041 local terms energy: -489.886803 where: bonds (distance) C4'-P energy: -108.662 bonds (distance) P-C4' energy: -103.964 flat angles C4'-P-C4' energy: -112.524 flat angles P-C4'-P energy: -55.645 tors. eta vs tors. theta energy: -109.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1167.077406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.077406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.077406 (E_RNA) where: Base-Base interactions energy: -716.874 where: short stacking energy: -316.007 Base-Backbone interact. energy: -3.077 local terms energy: -447.126603 where: bonds (distance) C4'-P energy: -89.134 bonds (distance) P-C4' energy: -108.715 flat angles C4'-P-C4' energy: -109.953 flat angles P-C4'-P energy: -75.007 tors. eta vs tors. theta energy: -64.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1059.689705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.689705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.689705 (E_RNA) where: Base-Base interactions energy: -651.633 where: short stacking energy: -306.278 Base-Backbone interact. energy: 0.024 local terms energy: -408.080680 where: bonds (distance) C4'-P energy: -92.549 bonds (distance) P-C4' energy: -112.235 flat angles C4'-P-C4' energy: -89.815 flat angles P-C4'-P energy: -61.384 tors. eta vs tors. theta energy: -52.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -675.277988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.277988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.277988 (E_RNA) where: Base-Base interactions energy: -336.066 where: short stacking energy: -171.338 Base-Backbone interact. energy: 1.090 local terms energy: -340.302069 where: bonds (distance) C4'-P energy: -94.863 bonds (distance) P-C4' energy: -108.052 flat angles C4'-P-C4' energy: -78.176 flat angles P-C4'-P energy: -40.863 tors. eta vs tors. theta energy: -18.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -495.006583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.006583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.006583 (E_RNA) where: Base-Base interactions energy: -205.044 where: short stacking energy: -156.474 Base-Backbone interact. energy: 3.406 local terms energy: -293.368410 where: bonds (distance) C4'-P energy: -95.982 bonds (distance) P-C4' energy: -83.263 flat angles C4'-P-C4' energy: -79.303 flat angles P-C4'-P energy: -49.260 tors. eta vs tors. theta energy: 14.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2166.012952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.012952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.012952 (E_RNA) where: Base-Base interactions energy: -1501.498 where: short stacking energy: -619.740 Base-Backbone interact. energy: -0.478 local terms energy: -664.037535 where: bonds (distance) C4'-P energy: -122.211 bonds (distance) P-C4' energy: -122.043 flat angles C4'-P-C4' energy: -132.683 flat angles P-C4'-P energy: -94.702 tors. eta vs tors. theta energy: -192.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2071.668594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.668594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.668594 (E_RNA) where: Base-Base interactions energy: -1422.074 where: short stacking energy: -601.468 Base-Backbone interact. energy: -2.028 local terms energy: -647.566216 where: bonds (distance) C4'-P energy: -124.589 bonds (distance) P-C4' energy: -109.824 flat angles C4'-P-C4' energy: -131.938 flat angles P-C4'-P energy: -88.380 tors. eta vs tors. theta energy: -192.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1963.153879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.153879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.153879 (E_RNA) where: Base-Base interactions energy: -1330.482 where: short stacking energy: -565.249 Base-Backbone interact. energy: 0.269 local terms energy: -632.941130 where: bonds (distance) C4'-P energy: -111.879 bonds (distance) P-C4' energy: -120.899 flat angles C4'-P-C4' energy: -125.754 flat angles P-C4'-P energy: -90.958 tors. eta vs tors. theta energy: -183.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1851.979527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.979527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.979527 (E_RNA) where: Base-Base interactions energy: -1253.081 where: short stacking energy: -510.205 Base-Backbone interact. energy: -0.391 local terms energy: -598.507245 where: bonds (distance) C4'-P energy: -121.403 bonds (distance) P-C4' energy: -113.343 flat angles C4'-P-C4' energy: -125.281 flat angles P-C4'-P energy: -90.020 tors. eta vs tors. theta energy: -148.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1677.190797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.190797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.190797 (E_RNA) where: Base-Base interactions energy: -1123.808 where: short stacking energy: -485.721 Base-Backbone interact. energy: 1.067 local terms energy: -554.449146 where: bonds (distance) C4'-P energy: -112.095 bonds (distance) P-C4' energy: -105.235 flat angles C4'-P-C4' energy: -121.085 flat angles P-C4'-P energy: -81.681 tors. eta vs tors. theta energy: -134.353 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: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1512.966865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.966865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.966865 (E_RNA) where: Base-Base interactions energy: -977.660 where: short stacking energy: -435.598 Base-Backbone interact. energy: 3.101 local terms energy: -538.407831 where: bonds (distance) C4'-P energy: -101.480 bonds (distance) P-C4' energy: -129.585 flat angles C4'-P-C4' energy: -118.148 flat angles P-C4'-P energy: -65.434 tors. eta vs tors. theta energy: -123.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1185.408064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.408064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.408064 (E_RNA) where: Base-Base interactions energy: -758.028 where: short stacking energy: -335.765 Base-Backbone interact. energy: -2.930 local terms energy: -424.450816 where: bonds (distance) C4'-P energy: -108.102 bonds (distance) P-C4' energy: -109.923 flat angles C4'-P-C4' energy: -85.950 flat angles P-C4'-P energy: -57.723 tors. eta vs tors. theta energy: -62.752 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: 10 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1053.322611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.322611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.322611 (E_RNA) where: Base-Base interactions energy: -622.754 where: short stacking energy: -280.327 Base-Backbone interact. energy: -1.058 local terms energy: -429.511108 where: bonds (distance) C4'-P energy: -113.367 bonds (distance) P-C4' energy: -105.145 flat angles C4'-P-C4' energy: -97.921 flat angles P-C4'-P energy: -62.888 tors. eta vs tors. theta energy: -50.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -726.455761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.455761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.455761 (E_RNA) where: Base-Base interactions energy: -345.570 where: short stacking energy: -206.389 Base-Backbone interact. energy: -3.101 local terms energy: -377.784261 where: bonds (distance) C4'-P energy: -105.901 bonds (distance) P-C4' energy: -94.592 flat angles C4'-P-C4' energy: -103.318 flat angles P-C4'-P energy: -58.738 tors. eta vs tors. theta energy: -15.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -466.363573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.363573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.363573 (E_RNA) where: Base-Base interactions energy: -175.442 where: short stacking energy: -128.964 Base-Backbone interact. energy: 3.240 local terms energy: -294.161590 where: bonds (distance) C4'-P energy: -88.998 bonds (distance) P-C4' energy: -107.933 flat angles C4'-P-C4' energy: -76.542 flat angles P-C4'-P energy: -48.471 tors. eta vs tors. theta energy: 27.783 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: 1 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2183.343059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.343059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.343059 (E_RNA) where: Base-Base interactions energy: -1517.746 where: short stacking energy: -635.215 Base-Backbone interact. energy: -3.022 local terms energy: -662.575330 where: bonds (distance) C4'-P energy: -117.428 bonds (distance) P-C4' energy: -118.796 flat angles C4'-P-C4' energy: -145.233 flat angles P-C4'-P energy: -84.758 tors. eta vs tors. theta energy: -196.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2045.916118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.916118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.916118 (E_RNA) where: Base-Base interactions energy: -1407.067 where: short stacking energy: -571.543 Base-Backbone interact. energy: -0.494 local terms energy: -638.354978 where: bonds (distance) C4'-P energy: -133.342 bonds (distance) P-C4' energy: -117.572 flat angles C4'-P-C4' energy: -135.295 flat angles P-C4'-P energy: -81.507 tors. eta vs tors. theta energy: -170.638 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: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1959.377201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.377201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.377201 (E_RNA) where: Base-Base interactions energy: -1330.916 where: short stacking energy: -567.913 Base-Backbone interact. energy: 2.525 local terms energy: -630.987129 where: bonds (distance) C4'-P energy: -122.736 bonds (distance) P-C4' energy: -100.782 flat angles C4'-P-C4' energy: -137.554 flat angles P-C4'-P energy: -92.905 tors. eta vs tors. theta energy: -177.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1830.179291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.179291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.179291 (E_RNA) where: Base-Base interactions energy: -1266.475 where: short stacking energy: -544.249 Base-Backbone interact. energy: 0.586 local terms energy: -564.290033 where: bonds (distance) C4'-P energy: -103.939 bonds (distance) P-C4' energy: -104.109 flat angles C4'-P-C4' energy: -122.800 flat angles P-C4'-P energy: -77.189 tors. eta vs tors. theta energy: -156.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1651.734427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.734427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.734427 (E_RNA) where: Base-Base interactions energy: -1092.183 where: short stacking energy: -450.964 Base-Backbone interact. energy: -5.023 local terms energy: -554.527918 where: bonds (distance) C4'-P energy: -115.972 bonds (distance) P-C4' energy: -111.722 flat angles C4'-P-C4' energy: -118.601 flat angles P-C4'-P energy: -86.312 tors. eta vs tors. theta energy: -121.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1619.071240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.071240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.071240 (E_RNA) where: Base-Base interactions energy: -1076.888 where: short stacking energy: -433.576 Base-Backbone interact. energy: -2.153 local terms energy: -540.030494 where: bonds (distance) C4'-P energy: -106.129 bonds (distance) P-C4' energy: -103.970 flat angles C4'-P-C4' energy: -123.527 flat angles P-C4'-P energy: -82.613 tors. eta vs tors. theta energy: -123.791 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: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1150.097350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.097350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.097350 (E_RNA) where: Base-Base interactions energy: -726.897 where: short stacking energy: -323.516 Base-Backbone interact. energy: -0.290 local terms energy: -422.911074 where: bonds (distance) C4'-P energy: -92.345 bonds (distance) P-C4' energy: -114.957 flat angles C4'-P-C4' energy: -107.918 flat angles P-C4'-P energy: -64.027 tors. eta vs tors. theta energy: -43.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -985.466290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.466290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.466290 (E_RNA) where: Base-Base interactions energy: -584.731 where: short stacking energy: -277.485 Base-Backbone interact. energy: -1.229 local terms energy: -399.505816 where: bonds (distance) C4'-P energy: -105.146 bonds (distance) P-C4' energy: -107.963 flat angles C4'-P-C4' energy: -83.947 flat angles P-C4'-P energy: -62.984 tors. eta vs tors. theta energy: -39.466 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: 9, replica: 8 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -729.789543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.789543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.789543 (E_RNA) where: Base-Base interactions energy: -361.863 where: short stacking energy: -207.984 Base-Backbone interact. energy: -1.892 local terms energy: -366.034857 where: bonds (distance) C4'-P energy: -88.162 bonds (distance) P-C4' energy: -109.371 flat angles C4'-P-C4' energy: -85.541 flat angles P-C4'-P energy: -65.720 tors. eta vs tors. theta energy: -17.241 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: 10, replica: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -475.103237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.103237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.103237 (E_RNA) where: Base-Base interactions energy: -154.593 where: short stacking energy: -138.518 Base-Backbone interact. energy: -3.825 local terms energy: -316.685701 where: bonds (distance) C4'-P energy: -97.318 bonds (distance) P-C4' energy: -102.528 flat angles C4'-P-C4' energy: -98.546 flat angles P-C4'-P energy: -35.962 tors. eta vs tors. theta energy: 17.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2187.111895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.111895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.111895 (E_RNA) where: Base-Base interactions energy: -1494.754 where: short stacking energy: -636.240 Base-Backbone interact. energy: -1.956 local terms energy: -690.401638 where: bonds (distance) C4'-P energy: -115.570 bonds (distance) P-C4' energy: -121.093 flat angles C4'-P-C4' energy: -147.767 flat angles P-C4'-P energy: -105.154 tors. eta vs tors. theta energy: -200.818 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: 2, replica: 7 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2057.858920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.858920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.858920 (E_RNA) where: Base-Base interactions energy: -1422.714 where: short stacking energy: -588.840 Base-Backbone interact. energy: -0.694 local terms energy: -634.451032 where: bonds (distance) C4'-P energy: -104.384 bonds (distance) P-C4' energy: -125.767 flat angles C4'-P-C4' energy: -135.895 flat angles P-C4'-P energy: -98.276 tors. eta vs tors. theta energy: -170.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1956.910193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.910193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.910193 (E_RNA) where: Base-Base interactions energy: -1295.269 where: short stacking energy: -557.402 Base-Backbone interact. energy: -2.577 local terms energy: -659.064676 where: bonds (distance) C4'-P energy: -118.961 bonds (distance) P-C4' energy: -125.394 flat angles C4'-P-C4' energy: -139.083 flat angles P-C4'-P energy: -96.967 tors. eta vs tors. theta energy: -178.659 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: 5 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1825.394744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.394744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.394744 (E_RNA) where: Base-Base interactions energy: -1238.845 where: short stacking energy: -558.529 Base-Backbone interact. energy: -2.023 local terms energy: -584.526198 where: bonds (distance) C4'-P energy: -107.062 bonds (distance) P-C4' energy: -109.283 flat angles C4'-P-C4' energy: -116.105 flat angles P-C4'-P energy: -99.433 tors. eta vs tors. theta energy: -152.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1625.257121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.257121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.257121 (E_RNA) where: Base-Base interactions energy: -1086.915 where: short stacking energy: -447.679 Base-Backbone interact. energy: -1.685 local terms energy: -536.657356 where: bonds (distance) C4'-P energy: -111.408 bonds (distance) P-C4' energy: -99.134 flat angles C4'-P-C4' energy: -123.787 flat angles P-C4'-P energy: -78.094 tors. eta vs tors. theta energy: -124.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1621.772345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.772345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.772345 (E_RNA) where: Base-Base interactions energy: -1058.848 where: short stacking energy: -444.148 Base-Backbone interact. energy: -2.407 local terms energy: -560.517923 where: bonds (distance) C4'-P energy: -97.354 bonds (distance) P-C4' energy: -114.293 flat angles C4'-P-C4' energy: -130.381 flat angles P-C4'-P energy: -82.961 tors. eta vs tors. theta energy: -135.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1242.498604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.498604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.498604 (E_RNA) where: Base-Base interactions energy: -790.399 where: short stacking energy: -341.793 Base-Backbone interact. energy: 3.091 local terms energy: -455.190569 where: bonds (distance) C4'-P energy: -112.120 bonds (distance) P-C4' energy: -116.599 flat angles C4'-P-C4' energy: -109.450 flat angles P-C4'-P energy: -52.250 tors. eta vs tors. theta energy: -64.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -941.643544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.643544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.643544 (E_RNA) where: Base-Base interactions energy: -559.730 where: short stacking energy: -280.570 Base-Backbone interact. energy: 0.801 local terms energy: -382.714830 where: bonds (distance) C4'-P energy: -99.497 bonds (distance) P-C4' energy: -115.467 flat angles C4'-P-C4' energy: -85.462 flat angles P-C4'-P energy: -54.367 tors. eta vs tors. theta energy: -27.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -713.726137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.726137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.726137 (E_RNA) where: Base-Base interactions energy: -347.012 where: short stacking energy: -193.857 Base-Backbone interact. energy: -0.375 local terms energy: -366.339730 where: bonds (distance) C4'-P energy: -99.635 bonds (distance) P-C4' energy: -103.276 flat angles C4'-P-C4' energy: -105.672 flat angles P-C4'-P energy: -69.188 tors. eta vs tors. theta energy: 11.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -465.423710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.423710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.423710 (E_RNA) where: Base-Base interactions energy: -148.788 where: short stacking energy: -113.543 Base-Backbone interact. energy: -4.059 local terms energy: -312.576483 where: bonds (distance) C4'-P energy: -105.715 bonds (distance) P-C4' energy: -99.350 flat angles C4'-P-C4' energy: -70.846 flat angles P-C4'-P energy: -58.698 tors. eta vs tors. theta energy: 22.032 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: 1 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2163.142626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.142626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.142626 (E_RNA) where: Base-Base interactions energy: -1502.387 where: short stacking energy: -607.076 Base-Backbone interact. energy: -2.140 local terms energy: -658.615560 where: bonds (distance) C4'-P energy: -119.674 bonds (distance) P-C4' energy: -134.586 flat angles C4'-P-C4' energy: -132.496 flat angles P-C4'-P energy: -90.790 tors. eta vs tors. theta energy: -181.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2043.404182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.404182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.404182 (E_RNA) where: Base-Base interactions energy: -1411.058 where: short stacking energy: -586.615 Base-Backbone interact. energy: -4.411 local terms energy: -627.935195 where: bonds (distance) C4'-P energy: -119.696 bonds (distance) P-C4' energy: -124.561 flat angles C4'-P-C4' energy: -117.343 flat angles P-C4'-P energy: -91.608 tors. eta vs tors. theta energy: -174.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1949.596938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.596938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.596938 (E_RNA) where: Base-Base interactions energy: -1329.016 where: short stacking energy: -571.515 Base-Backbone interact. energy: -0.505 local terms energy: -620.075614 where: bonds (distance) C4'-P energy: -113.277 bonds (distance) P-C4' energy: -125.916 flat angles C4'-P-C4' energy: -124.105 flat angles P-C4'-P energy: -71.476 tors. eta vs tors. theta energy: -185.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1860.618434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.618434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.618434 (E_RNA) where: Base-Base interactions energy: -1283.854 where: short stacking energy: -532.473 Base-Backbone interact. energy: -1.180 local terms energy: -575.584482 where: bonds (distance) C4'-P energy: -115.933 bonds (distance) P-C4' energy: -110.514 flat angles C4'-P-C4' energy: -113.426 flat angles P-C4'-P energy: -77.131 tors. eta vs tors. theta energy: -158.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1687.460220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.460220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.460220 (E_RNA) where: Base-Base interactions energy: -1132.394 where: short stacking energy: -491.699 Base-Backbone interact. energy: 3.087 local terms energy: -558.152514 where: bonds (distance) C4'-P energy: -113.783 bonds (distance) P-C4' energy: -99.117 flat angles C4'-P-C4' energy: -124.353 flat angles P-C4'-P energy: -73.811 tors. eta vs tors. theta energy: -147.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1646.270976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.270976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.270976 (E_RNA) where: Base-Base interactions energy: -1085.261 where: short stacking energy: -464.802 Base-Backbone interact. energy: -2.797 local terms energy: -558.212627 where: bonds (distance) C4'-P energy: -114.184 bonds (distance) P-C4' energy: -104.684 flat angles C4'-P-C4' energy: -130.878 flat angles P-C4'-P energy: -66.745 tors. eta vs tors. theta energy: -141.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1257.408921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.408921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.408921 (E_RNA) where: Base-Base interactions energy: -806.117 where: short stacking energy: -354.396 Base-Backbone interact. energy: -2.394 local terms energy: -448.897657 where: bonds (distance) C4'-P energy: -108.643 bonds (distance) P-C4' energy: -92.583 flat angles C4'-P-C4' energy: -110.231 flat angles P-C4'-P energy: -56.450 tors. eta vs tors. theta energy: -80.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -950.613935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.613935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.613935 (E_RNA) where: Base-Base interactions energy: -534.629 where: short stacking energy: -267.047 Base-Backbone interact. energy: -3.217 local terms energy: -412.767879 where: bonds (distance) C4'-P energy: -79.159 bonds (distance) P-C4' energy: -113.719 flat angles C4'-P-C4' energy: -105.061 flat angles P-C4'-P energy: -75.881 tors. eta vs tors. theta energy: -38.948 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: 9, replica: 8 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -722.609110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.609110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.609110 (E_RNA) where: Base-Base interactions energy: -380.074 where: short stacking energy: -188.255 Base-Backbone interact. energy: 0.430 local terms energy: -342.965922 where: bonds (distance) C4'-P energy: -102.712 bonds (distance) P-C4' energy: -99.821 flat angles C4'-P-C4' energy: -81.336 flat angles P-C4'-P energy: -49.826 tors. eta vs tors. theta energy: -9.271 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: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -471.877910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.877910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.877910 (E_RNA) where: Base-Base interactions energy: -180.673 where: short stacking energy: -145.836 Base-Backbone interact. energy: -1.974 local terms energy: -289.230499 where: bonds (distance) C4'-P energy: -85.916 bonds (distance) P-C4' energy: -97.943 flat angles C4'-P-C4' energy: -89.120 flat angles P-C4'-P energy: -39.750 tors. eta vs tors. theta energy: 23.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2183.102659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.102659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.102659 (E_RNA) where: Base-Base interactions energy: -1522.743 where: short stacking energy: -613.530 Base-Backbone interact. energy: -3.326 local terms energy: -657.033236 where: bonds (distance) C4'-P energy: -111.042 bonds (distance) P-C4' energy: -130.709 flat angles C4'-P-C4' energy: -139.251 flat angles P-C4'-P energy: -93.415 tors. eta vs tors. theta energy: -182.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2065.775406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.775406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.775406 (E_RNA) where: Base-Base interactions energy: -1412.511 where: short stacking energy: -582.216 Base-Backbone interact. energy: -2.251 local terms energy: -651.013791 where: bonds (distance) C4'-P energy: -116.824 bonds (distance) P-C4' energy: -125.753 flat angles C4'-P-C4' energy: -138.323 flat angles P-C4'-P energy: -94.254 tors. eta vs tors. theta energy: -175.859 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: 4 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1943.158139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.158139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.158139 (E_RNA) where: Base-Base interactions energy: -1316.509 where: short stacking energy: -557.025 Base-Backbone interact. energy: 1.512 local terms energy: -628.161797 where: bonds (distance) C4'-P energy: -113.366 bonds (distance) P-C4' energy: -120.438 flat angles C4'-P-C4' energy: -131.537 flat angles P-C4'-P energy: -89.501 tors. eta vs tors. theta energy: -173.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1869.520990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.520990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.520990 (E_RNA) where: Base-Base interactions energy: -1291.486 where: short stacking energy: -525.364 Base-Backbone interact. energy: -3.383 local terms energy: -574.652115 where: bonds (distance) C4'-P energy: -114.592 bonds (distance) P-C4' energy: -104.086 flat angles C4'-P-C4' energy: -117.521 flat angles P-C4'-P energy: -78.512 tors. eta vs tors. theta energy: -159.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1654.226416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.226416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.226416 (E_RNA) where: Base-Base interactions energy: -1104.035 where: short stacking energy: -503.263 Base-Backbone interact. energy: 1.257 local terms energy: -551.449113 where: bonds (distance) C4'-P energy: -115.770 bonds (distance) P-C4' energy: -109.232 flat angles C4'-P-C4' energy: -117.370 flat angles P-C4'-P energy: -77.832 tors. eta vs tors. theta energy: -131.245 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: 6, replica: 3 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1556.141828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.141828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.141828 (E_RNA) where: Base-Base interactions energy: -1009.746 where: short stacking energy: -445.230 Base-Backbone interact. energy: -2.359 local terms energy: -544.036782 where: bonds (distance) C4'-P energy: -112.845 bonds (distance) P-C4' energy: -115.156 flat angles C4'-P-C4' energy: -111.372 flat angles P-C4'-P energy: -70.212 tors. eta vs tors. theta energy: -134.452 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: 371 Temperature: 1.200000 Total energy: -1188.217714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.217714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.217714 (E_RNA) where: Base-Base interactions energy: -746.131 where: short stacking energy: -330.603 Base-Backbone interact. energy: -0.410 local terms energy: -441.676962 where: bonds (distance) C4'-P energy: -102.426 bonds (distance) P-C4' energy: -104.043 flat angles C4'-P-C4' energy: -105.613 flat angles P-C4'-P energy: -70.842 tors. eta vs tors. theta energy: -58.753 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: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -919.970049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.970049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.970049 (E_RNA) where: Base-Base interactions energy: -552.471 where: short stacking energy: -267.093 Base-Backbone interact. energy: -2.973 local terms energy: -364.526062 where: bonds (distance) C4'-P energy: -96.950 bonds (distance) P-C4' energy: -72.961 flat angles C4'-P-C4' energy: -103.433 flat angles P-C4'-P energy: -57.596 tors. eta vs tors. theta energy: -33.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -735.691547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.691547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.691547 (E_RNA) where: Base-Base interactions energy: -392.639 where: short stacking energy: -229.181 Base-Backbone interact. energy: -0.337 local terms energy: -342.715172 where: bonds (distance) C4'-P energy: -98.002 bonds (distance) P-C4' energy: -104.377 flat angles C4'-P-C4' energy: -81.619 flat angles P-C4'-P energy: -41.888 tors. eta vs tors. theta energy: -16.829 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: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -470.560139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.560139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.560139 (E_RNA) where: Base-Base interactions energy: -189.252 where: short stacking energy: -130.071 Base-Backbone interact. energy: 1.341 local terms energy: -282.649679 where: bonds (distance) C4'-P energy: -88.451 bonds (distance) P-C4' energy: -105.815 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: 30.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2187.302984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.302984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.302984 (E_RNA) where: Base-Base interactions energy: -1511.930 where: short stacking energy: -621.776 Base-Backbone interact. energy: -4.586 local terms energy: -670.787912 where: bonds (distance) C4'-P energy: -127.506 bonds (distance) P-C4' energy: -132.009 flat angles C4'-P-C4' energy: -142.963 flat angles P-C4'-P energy: -83.157 tors. eta vs tors. theta energy: -185.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2052.440369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.440369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.440369 (E_RNA) where: Base-Base interactions energy: -1441.055 where: short stacking energy: -578.657 Base-Backbone interact. energy: 1.540 local terms energy: -612.925416 where: bonds (distance) C4'-P energy: -109.085 bonds (distance) P-C4' energy: -126.498 flat angles C4'-P-C4' energy: -113.990 flat angles P-C4'-P energy: -86.897 tors. eta vs tors. theta energy: -176.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1945.503078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.503078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.503078 (E_RNA) where: Base-Base interactions energy: -1319.337 where: short stacking energy: -554.363 Base-Backbone interact. energy: -1.066 local terms energy: -625.100385 where: bonds (distance) C4'-P energy: -105.180 bonds (distance) P-C4' energy: -119.573 flat angles C4'-P-C4' energy: -132.414 flat angles P-C4'-P energy: -96.905 tors. eta vs tors. theta energy: -171.029 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: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1888.511021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.511021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.511021 (E_RNA) where: Base-Base interactions energy: -1297.997 where: short stacking energy: -543.643 Base-Backbone interact. energy: 0.119 local terms energy: -590.633364 where: bonds (distance) C4'-P energy: -110.090 bonds (distance) P-C4' energy: -106.622 flat angles C4'-P-C4' energy: -135.836 flat angles P-C4'-P energy: -78.461 tors. eta vs tors. theta energy: -159.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1631.802882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.802882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.802882 (E_RNA) where: Base-Base interactions energy: -1080.207 where: short stacking energy: -479.206 Base-Backbone interact. energy: -0.891 local terms energy: -550.704448 where: bonds (distance) C4'-P energy: -109.674 bonds (distance) P-C4' energy: -107.663 flat angles C4'-P-C4' energy: -113.099 flat angles P-C4'-P energy: -75.866 tors. eta vs tors. theta energy: -144.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1651.454262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.454262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.454262 (E_RNA) where: Base-Base interactions energy: -1105.009 where: short stacking energy: -462.889 Base-Backbone interact. energy: -2.618 local terms energy: -543.827996 where: bonds (distance) C4'-P energy: -101.805 bonds (distance) P-C4' energy: -118.365 flat angles C4'-P-C4' energy: -121.810 flat angles P-C4'-P energy: -64.711 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: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1177.334068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.334068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.334068 (E_RNA) where: Base-Base interactions energy: -726.484 where: short stacking energy: -337.923 Base-Backbone interact. energy: -0.808 local terms energy: -450.041902 where: bonds (distance) C4'-P energy: -97.449 bonds (distance) P-C4' energy: -109.433 flat angles C4'-P-C4' energy: -106.113 flat angles P-C4'-P energy: -65.850 tors. eta vs tors. theta energy: -71.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -984.852042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.852042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.852042 (E_RNA) where: Base-Base interactions energy: -572.766 where: short stacking energy: -298.688 Base-Backbone interact. energy: -3.895 local terms energy: -408.190815 where: bonds (distance) C4'-P energy: -94.965 bonds (distance) P-C4' energy: -98.885 flat angles C4'-P-C4' energy: -94.451 flat angles P-C4'-P energy: -72.120 tors. eta vs tors. theta energy: -47.769 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: 8 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -707.328172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.328172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.328172 (E_RNA) where: Base-Base interactions energy: -356.042 where: short stacking energy: -202.888 Base-Backbone interact. energy: 7.615 local terms energy: -358.901914 where: bonds (distance) C4'-P energy: -97.304 bonds (distance) P-C4' energy: -103.981 flat angles C4'-P-C4' energy: -100.616 flat angles P-C4'-P energy: -57.781 tors. eta vs tors. theta energy: 0.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -488.755851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.755851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.755851 (E_RNA) where: Base-Base interactions energy: -184.383 where: short stacking energy: -127.474 Base-Backbone interact. energy: 1.219 local terms energy: -305.591817 where: bonds (distance) C4'-P energy: -104.105 bonds (distance) P-C4' energy: -105.716 flat angles C4'-P-C4' energy: -86.662 flat angles P-C4'-P energy: -45.889 tors. eta vs tors. theta energy: 36.780 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: 1 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2190.854241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.854241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.854241 (E_RNA) where: Base-Base interactions energy: -1511.898 where: short stacking energy: -603.719 Base-Backbone interact. energy: 0.281 local terms energy: -679.236951 where: bonds (distance) C4'-P energy: -117.729 bonds (distance) P-C4' energy: -118.989 flat angles C4'-P-C4' energy: -155.684 flat angles P-C4'-P energy: -106.163 tors. eta vs tors. theta energy: -180.672 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: 7 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2054.627009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.627009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.627009 (E_RNA) where: Base-Base interactions energy: -1391.856 where: short stacking energy: -591.242 Base-Backbone interact. energy: -2.544 local terms energy: -660.227153 where: bonds (distance) C4'-P energy: -129.536 bonds (distance) P-C4' energy: -114.959 flat angles C4'-P-C4' energy: -131.372 flat angles P-C4'-P energy: -103.749 tors. eta vs tors. theta energy: -180.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1917.765332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.765332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.765332 (E_RNA) where: Base-Base interactions energy: -1293.891 where: short stacking energy: -537.086 Base-Backbone interact. energy: -2.110 local terms energy: -621.763465 where: bonds (distance) C4'-P energy: -108.357 bonds (distance) P-C4' energy: -123.853 flat angles C4'-P-C4' energy: -120.655 flat angles P-C4'-P energy: -92.714 tors. eta vs tors. theta energy: -176.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1848.185172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.185172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.185172 (E_RNA) where: Base-Base interactions energy: -1270.892 where: short stacking energy: -552.287 Base-Backbone interact. energy: 2.253 local terms energy: -579.546831 where: bonds (distance) C4'-P energy: -114.500 bonds (distance) P-C4' energy: -109.117 flat angles C4'-P-C4' energy: -117.051 flat angles P-C4'-P energy: -85.820 tors. eta vs tors. theta energy: -153.060 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: 2 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1682.950934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.950934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.950934 (E_RNA) where: Base-Base interactions energy: -1114.771 where: short stacking energy: -493.473 Base-Backbone interact. energy: 2.224 local terms energy: -570.403875 where: bonds (distance) C4'-P energy: -105.444 bonds (distance) P-C4' energy: -113.862 flat angles C4'-P-C4' energy: -124.053 flat angles P-C4'-P energy: -85.448 tors. eta vs tors. theta energy: -141.598 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: 3 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1665.521619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.521619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.521619 (E_RNA) where: Base-Base interactions energy: -1103.193 where: short stacking energy: -482.843 Base-Backbone interact. energy: -3.500 local terms energy: -558.828242 where: bonds (distance) C4'-P energy: -113.674 bonds (distance) P-C4' energy: -122.440 flat angles C4'-P-C4' energy: -119.307 flat angles P-C4'-P energy: -77.760 tors. eta vs tors. theta energy: -125.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1106.897624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.897624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.897624 (E_RNA) where: Base-Base interactions energy: -696.513 where: short stacking energy: -300.198 Base-Backbone interact. energy: 10.580 local terms energy: -420.965451 where: bonds (distance) C4'-P energy: -103.469 bonds (distance) P-C4' energy: -91.888 flat angles C4'-P-C4' energy: -113.731 flat angles P-C4'-P energy: -62.120 tors. eta vs tors. theta energy: -49.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1093.065713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.065713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.065713 (E_RNA) where: Base-Base interactions energy: -661.650 where: short stacking energy: -300.435 Base-Backbone interact. energy: -1.547 local terms energy: -429.868694 where: bonds (distance) C4'-P energy: -98.580 bonds (distance) P-C4' energy: -104.718 flat angles C4'-P-C4' energy: -94.862 flat angles P-C4'-P energy: -57.226 tors. eta vs tors. theta energy: -74.484 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: 9, replica: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -731.510228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.510228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.510228 (E_RNA) where: Base-Base interactions energy: -387.466 where: short stacking energy: -223.401 Base-Backbone interact. energy: -2.081 local terms energy: -341.962752 where: bonds (distance) C4'-P energy: -88.265 bonds (distance) P-C4' energy: -106.122 flat angles C4'-P-C4' energy: -93.054 flat angles P-C4'-P energy: -51.040 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -485.244427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.244427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.244427 (E_RNA) where: Base-Base interactions energy: -186.445 where: short stacking energy: -100.376 Base-Backbone interact. energy: 1.797 local terms energy: -300.596511 where: bonds (distance) C4'-P energy: -86.060 bonds (distance) P-C4' energy: -109.361 flat angles C4'-P-C4' energy: -84.192 flat angles P-C4'-P energy: -39.674 tors. eta vs tors. theta energy: 18.689 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: 1 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2178.730151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.730151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.730151 (E_RNA) where: Base-Base interactions energy: -1524.010 where: short stacking energy: -617.387 Base-Backbone interact. energy: -1.758 local terms energy: -652.962656 where: bonds (distance) C4'-P energy: -101.966 bonds (distance) P-C4' energy: -129.426 flat angles C4'-P-C4' energy: -145.073 flat angles P-C4'-P energy: -98.413 tors. eta vs tors. theta energy: -178.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2079.335999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.335999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.335999 (E_RNA) where: Base-Base interactions energy: -1428.684 where: short stacking energy: -582.952 Base-Backbone interact. energy: 1.952 local terms energy: -652.603831 where: bonds (distance) C4'-P energy: -105.352 bonds (distance) P-C4' energy: -129.203 flat angles C4'-P-C4' energy: -126.765 flat angles P-C4'-P energy: -102.701 tors. eta vs tors. theta energy: -188.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1922.573214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.573214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.573214 (E_RNA) where: Base-Base interactions energy: -1288.510 where: short stacking energy: -550.367 Base-Backbone interact. energy: 0.594 local terms energy: -634.657095 where: bonds (distance) C4'-P energy: -114.872 bonds (distance) P-C4' energy: -123.959 flat angles C4'-P-C4' energy: -130.994 flat angles P-C4'-P energy: -89.036 tors. eta vs tors. theta energy: -175.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1859.721442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.721442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.721442 (E_RNA) where: Base-Base interactions energy: -1277.326 where: short stacking energy: -511.124 Base-Backbone interact. energy: 1.020 local terms energy: -583.415464 where: bonds (distance) C4'-P energy: -113.728 bonds (distance) P-C4' energy: -111.627 flat angles C4'-P-C4' energy: -122.078 flat angles P-C4'-P energy: -85.847 tors. eta vs tors. theta energy: -150.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1660.044407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.044407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.044407 (E_RNA) where: Base-Base interactions energy: -1085.413 where: short stacking energy: -469.872 Base-Backbone interact. energy: -0.883 local terms energy: -573.748282 where: bonds (distance) C4'-P energy: -104.149 bonds (distance) P-C4' energy: -129.713 flat angles C4'-P-C4' energy: -115.689 flat angles P-C4'-P energy: -78.193 tors. eta vs tors. theta energy: -146.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1597.014416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.014416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.014416 (E_RNA) where: Base-Base interactions energy: -1039.064 where: short stacking energy: -441.658 Base-Backbone interact. energy: -4.568 local terms energy: -553.382996 where: bonds (distance) C4'-P energy: -110.335 bonds (distance) P-C4' energy: -116.862 flat angles C4'-P-C4' energy: -128.727 flat angles P-C4'-P energy: -75.394 tors. eta vs tors. theta energy: -122.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1160.237532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.237532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.237532 (E_RNA) where: Base-Base interactions energy: -722.926 where: short stacking energy: -319.894 Base-Backbone interact. energy: -3.292 local terms energy: -434.019424 where: bonds (distance) C4'-P energy: -109.477 bonds (distance) P-C4' energy: -98.955 flat angles C4'-P-C4' energy: -107.198 flat angles P-C4'-P energy: -59.362 tors. eta vs tors. theta energy: -59.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1056.447350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.447350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.447350 (E_RNA) where: Base-Base interactions energy: -642.037 where: short stacking energy: -294.269 Base-Backbone interact. energy: 1.831 local terms energy: -416.241488 where: bonds (distance) C4'-P energy: -98.459 bonds (distance) P-C4' energy: -102.094 flat angles C4'-P-C4' energy: -104.704 flat angles P-C4'-P energy: -60.046 tors. eta vs tors. theta energy: -50.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -677.241754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.241754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.241754 (E_RNA) where: Base-Base interactions energy: -318.884 where: short stacking energy: -176.895 Base-Backbone interact. energy: 3.401 local terms energy: -361.758184 where: bonds (distance) C4'-P energy: -101.052 bonds (distance) P-C4' energy: -99.343 flat angles C4'-P-C4' energy: -103.306 flat angles P-C4'-P energy: -68.479 tors. eta vs tors. theta energy: 10.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -490.363983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.363983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.363983 (E_RNA) where: Base-Base interactions energy: -192.627 where: short stacking energy: -163.761 Base-Backbone interact. energy: -2.118 local terms energy: -295.618955 where: bonds (distance) C4'-P energy: -75.279 bonds (distance) P-C4' energy: -95.310 flat angles C4'-P-C4' energy: -72.620 flat angles P-C4'-P energy: -53.625 tors. eta vs tors. theta energy: 1.215 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: 1 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2173.746390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.746390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.746390 (E_RNA) where: Base-Base interactions energy: -1541.258 where: short stacking energy: -632.807 Base-Backbone interact. energy: -0.134 local terms energy: -632.354217 where: bonds (distance) C4'-P energy: -110.805 bonds (distance) P-C4' energy: -109.773 flat angles C4'-P-C4' energy: -132.129 flat angles P-C4'-P energy: -91.997 tors. eta vs tors. theta energy: -187.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2066.761684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.761684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.761684 (E_RNA) where: Base-Base interactions energy: -1428.796 where: short stacking energy: -611.960 Base-Backbone interact. energy: -3.368 local terms energy: -634.597148 where: bonds (distance) C4'-P energy: -96.948 bonds (distance) P-C4' energy: -117.101 flat angles C4'-P-C4' energy: -140.880 flat angles P-C4'-P energy: -93.632 tors. eta vs tors. theta energy: -186.036 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: 5 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1848.747990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.747990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.747990 (E_RNA) where: Base-Base interactions energy: -1268.611 where: short stacking energy: -550.526 Base-Backbone interact. energy: 0.817 local terms energy: -580.953828 where: bonds (distance) C4'-P energy: -110.011 bonds (distance) P-C4' energy: -115.382 flat angles C4'-P-C4' energy: -114.421 flat angles P-C4'-P energy: -81.177 tors. eta vs tors. theta energy: -159.962 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: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1882.417293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.417293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.417293 (E_RNA) where: Base-Base interactions energy: -1270.610 where: short stacking energy: -517.816 Base-Backbone interact. energy: -3.096 local terms energy: -608.710596 where: bonds (distance) C4'-P energy: -119.549 bonds (distance) P-C4' energy: -115.682 flat angles C4'-P-C4' energy: -126.903 flat angles P-C4'-P energy: -87.035 tors. eta vs tors. theta energy: -159.542 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: 2 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1659.267415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.267415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.267415 (E_RNA) where: Base-Base interactions energy: -1112.224 where: short stacking energy: -489.877 Base-Backbone interact. energy: 0.593 local terms energy: -547.636172 where: bonds (distance) C4'-P energy: -94.169 bonds (distance) P-C4' energy: -112.565 flat angles C4'-P-C4' energy: -125.007 flat angles P-C4'-P energy: -74.106 tors. eta vs tors. theta energy: -141.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1584.964533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.964533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.964533 (E_RNA) where: Base-Base interactions energy: -1065.232 where: short stacking energy: -457.505 Base-Backbone interact. energy: -2.990 local terms energy: -516.742299 where: bonds (distance) C4'-P energy: -87.337 bonds (distance) P-C4' energy: -109.780 flat angles C4'-P-C4' energy: -126.512 flat angles P-C4'-P energy: -77.094 tors. eta vs tors. theta energy: -116.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1103.099484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.099484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.099484 (E_RNA) where: Base-Base interactions energy: -656.276 where: short stacking energy: -329.530 Base-Backbone interact. energy: -2.414 local terms energy: -444.409081 where: bonds (distance) C4'-P energy: -92.840 bonds (distance) P-C4' energy: -116.591 flat angles C4'-P-C4' energy: -106.762 flat angles P-C4'-P energy: -67.448 tors. eta vs tors. theta energy: -60.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1058.526492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.526492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.526492 (E_RNA) where: Base-Base interactions energy: -676.837 where: short stacking energy: -294.346 Base-Backbone interact. energy: 0.610 local terms energy: -382.299486 where: bonds (distance) C4'-P energy: -89.659 bonds (distance) P-C4' energy: -104.820 flat angles C4'-P-C4' energy: -94.073 flat angles P-C4'-P energy: -49.897 tors. eta vs tors. theta energy: -43.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -630.102813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.102813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.102813 (E_RNA) where: Base-Base interactions energy: -263.829 where: short stacking energy: -176.587 Base-Backbone interact. energy: 1.582 local terms energy: -367.855077 where: bonds (distance) C4'-P energy: -96.337 bonds (distance) P-C4' energy: -116.111 flat angles C4'-P-C4' energy: -84.241 flat angles P-C4'-P energy: -65.391 tors. eta vs tors. theta energy: -5.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -455.558676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.558676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.558676 (E_RNA) where: Base-Base interactions energy: -124.391 where: short stacking energy: -95.127 Base-Backbone interact. energy: -1.213 local terms energy: -329.954105 where: bonds (distance) C4'-P energy: -111.026 bonds (distance) P-C4' energy: -109.140 flat angles C4'-P-C4' energy: -89.241 flat angles P-C4'-P energy: -56.777 tors. eta vs tors. theta energy: 36.229 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: 1 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2207.426286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.426286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.426286 (E_RNA) where: Base-Base interactions energy: -1560.450 where: short stacking energy: -641.207 Base-Backbone interact. energy: -0.044 local terms energy: -646.931677 where: bonds (distance) C4'-P energy: -115.160 bonds (distance) P-C4' energy: -105.143 flat angles C4'-P-C4' energy: -139.356 flat angles P-C4'-P energy: -95.843 tors. eta vs tors. theta energy: -191.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2109.149475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.149475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.149475 (E_RNA) where: Base-Base interactions energy: -1464.006 where: short stacking energy: -608.866 Base-Backbone interact. energy: -0.615 local terms energy: -644.527750 where: bonds (distance) C4'-P energy: -121.565 bonds (distance) P-C4' energy: -122.748 flat angles C4'-P-C4' energy: -122.898 flat angles P-C4'-P energy: -91.875 tors. eta vs tors. theta energy: -185.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1935.956183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.956183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.956183 (E_RNA) where: Base-Base interactions energy: -1328.452 where: short stacking energy: -531.425 Base-Backbone interact. energy: -0.029 local terms energy: -607.475817 where: bonds (distance) C4'-P energy: -112.619 bonds (distance) P-C4' energy: -98.358 flat angles C4'-P-C4' energy: -143.660 flat angles P-C4'-P energy: -88.166 tors. eta vs tors. theta energy: -164.672 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: 5 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1828.424501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.424501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.424501 (E_RNA) where: Base-Base interactions energy: -1233.425 where: short stacking energy: -516.483 Base-Backbone interact. energy: 2.607 local terms energy: -597.606892 where: bonds (distance) C4'-P energy: -115.148 bonds (distance) P-C4' energy: -101.564 flat angles C4'-P-C4' energy: -138.996 flat angles P-C4'-P energy: -86.325 tors. eta vs tors. theta energy: -155.574 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: 5, replica: 3 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1678.186539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.186539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.186539 (E_RNA) where: Base-Base interactions energy: -1114.615 where: short stacking energy: -461.617 Base-Backbone interact. energy: -0.364 local terms energy: -563.207046 where: bonds (distance) C4'-P energy: -106.931 bonds (distance) P-C4' energy: -111.886 flat angles C4'-P-C4' energy: -129.399 flat angles P-C4'-P energy: -93.200 tors. eta vs tors. theta energy: -121.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1625.806749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.806749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.806749 (E_RNA) where: Base-Base interactions energy: -1073.886 where: short stacking energy: -489.304 Base-Backbone interact. energy: -1.943 local terms energy: -549.978182 where: bonds (distance) C4'-P energy: -108.003 bonds (distance) P-C4' energy: -113.921 flat angles C4'-P-C4' energy: -121.683 flat angles P-C4'-P energy: -68.260 tors. eta vs tors. theta energy: -138.110 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: 7, replica: 10 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1141.737251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.737251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.737251 (E_RNA) where: Base-Base interactions energy: -718.301 where: short stacking energy: -310.541 Base-Backbone interact. energy: -2.295 local terms energy: -421.141298 where: bonds (distance) C4'-P energy: -101.012 bonds (distance) P-C4' energy: -113.425 flat angles C4'-P-C4' energy: -107.493 flat angles P-C4'-P energy: -43.545 tors. eta vs tors. theta energy: -55.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1067.555577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.555577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.555577 (E_RNA) where: Base-Base interactions energy: -647.913 where: short stacking energy: -269.413 Base-Backbone interact. energy: 3.173 local terms energy: -422.815194 where: bonds (distance) C4'-P energy: -95.723 bonds (distance) P-C4' energy: -124.289 flat angles C4'-P-C4' energy: -100.807 flat angles P-C4'-P energy: -60.275 tors. eta vs tors. theta energy: -41.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -626.906457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.906457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.906457 (E_RNA) where: Base-Base interactions energy: -272.953 where: short stacking energy: -184.530 Base-Backbone interact. energy: -2.638 local terms energy: -351.315675 where: bonds (distance) C4'-P energy: -101.347 bonds (distance) P-C4' energy: -105.616 flat angles C4'-P-C4' energy: -88.567 flat angles P-C4'-P energy: -42.598 tors. eta vs tors. theta energy: -13.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -460.952885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.952885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.952885 (E_RNA) where: Base-Base interactions energy: -136.139 where: short stacking energy: -128.330 Base-Backbone interact. energy: 6.599 local terms energy: -331.412388 where: bonds (distance) C4'-P energy: -111.602 bonds (distance) P-C4' energy: -100.055 flat angles C4'-P-C4' energy: -73.075 flat angles P-C4'-P energy: -67.518 tors. eta vs tors. theta energy: 20.837 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: 1, replica: 1 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2175.852513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.852513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.852513 (E_RNA) where: Base-Base interactions energy: -1527.258 where: short stacking energy: -624.080 Base-Backbone interact. energy: -0.598 local terms energy: -647.996501 where: bonds (distance) C4'-P energy: -121.144 bonds (distance) P-C4' energy: -119.518 flat angles C4'-P-C4' energy: -138.325 flat angles P-C4'-P energy: -79.333 tors. eta vs tors. theta energy: -189.676 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: 7 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2058.714029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.714029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.714029 (E_RNA) where: Base-Base interactions energy: -1407.238 where: short stacking energy: -566.383 Base-Backbone interact. energy: 0.925 local terms energy: -652.400965 where: bonds (distance) C4'-P energy: -122.726 bonds (distance) P-C4' energy: -129.684 flat angles C4'-P-C4' energy: -129.864 flat angles P-C4'-P energy: -98.106 tors. eta vs tors. theta energy: -172.020 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: 4 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1941.337300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.337300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.337300 (E_RNA) where: Base-Base interactions energy: -1298.021 where: short stacking energy: -554.203 Base-Backbone interact. energy: -2.989 local terms energy: -640.327126 where: bonds (distance) C4'-P energy: -121.063 bonds (distance) P-C4' energy: -109.176 flat angles C4'-P-C4' energy: -137.883 flat angles P-C4'-P energy: -88.510 tors. eta vs tors. theta energy: -183.695 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: 5 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1815.246151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.246151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.246151 (E_RNA) where: Base-Base interactions energy: -1251.225 where: short stacking energy: -551.821 Base-Backbone interact. energy: -1.527 local terms energy: -562.494124 where: bonds (distance) C4'-P energy: -106.940 bonds (distance) P-C4' energy: -114.135 flat angles C4'-P-C4' energy: -114.493 flat angles P-C4'-P energy: -73.653 tors. eta vs tors. theta energy: -153.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1681.379852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.379852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.379852 (E_RNA) where: Base-Base interactions energy: -1128.588 where: short stacking energy: -489.942 Base-Backbone interact. energy: -0.003 local terms energy: -552.789026 where: bonds (distance) C4'-P energy: -111.712 bonds (distance) P-C4' energy: -107.860 flat angles C4'-P-C4' energy: -110.266 flat angles P-C4'-P energy: -71.274 tors. eta vs tors. theta energy: -151.677 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: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1616.654362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.654362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.654362 (E_RNA) where: Base-Base interactions energy: -1065.339 where: short stacking energy: -454.482 Base-Backbone interact. energy: -2.368 local terms energy: -548.947614 where: bonds (distance) C4'-P energy: -104.780 bonds (distance) P-C4' energy: -117.892 flat angles C4'-P-C4' energy: -113.175 flat angles P-C4'-P energy: -77.646 tors. eta vs tors. theta energy: -135.455 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: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1097.841674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.841674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.841674 (E_RNA) where: Base-Base interactions energy: -645.680 where: short stacking energy: -307.509 Base-Backbone interact. energy: -2.221 local terms energy: -449.940969 where: bonds (distance) C4'-P energy: -102.377 bonds (distance) P-C4' energy: -104.276 flat angles C4'-P-C4' energy: -123.050 flat angles P-C4'-P energy: -60.211 tors. eta vs tors. theta energy: -60.026 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: 6 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -911.158521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.158521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.158521 (E_RNA) where: Base-Base interactions energy: -570.305 where: short stacking energy: -246.178 Base-Backbone interact. energy: 1.923 local terms energy: -342.776658 where: bonds (distance) C4'-P energy: -88.189 bonds (distance) P-C4' energy: -106.085 flat angles C4'-P-C4' energy: -73.561 flat angles P-C4'-P energy: -55.809 tors. eta vs tors. theta energy: -19.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -659.737225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.737225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.737225 (E_RNA) where: Base-Base interactions energy: -273.281 where: short stacking energy: -178.947 Base-Backbone interact. energy: -1.013 local terms energy: -385.442751 where: bonds (distance) C4'-P energy: -108.375 bonds (distance) P-C4' energy: -106.347 flat angles C4'-P-C4' energy: -96.363 flat angles P-C4'-P energy: -62.810 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: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -480.476007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.476007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.476007 (E_RNA) where: Base-Base interactions energy: -156.743 where: short stacking energy: -125.865 Base-Backbone interact. energy: 0.919 local terms energy: -324.651522 where: bonds (distance) C4'-P energy: -118.888 bonds (distance) P-C4' energy: -94.872 flat angles C4'-P-C4' energy: -94.432 flat angles P-C4'-P energy: -22.410 tors. eta vs tors. theta energy: 5.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2184.633417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.633417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.633417 (E_RNA) where: Base-Base interactions energy: -1534.142 where: short stacking energy: -626.751 Base-Backbone interact. energy: -2.505 local terms energy: -647.986719 where: bonds (distance) C4'-P energy: -116.615 bonds (distance) P-C4' energy: -121.715 flat angles C4'-P-C4' energy: -134.385 flat angles P-C4'-P energy: -86.102 tors. eta vs tors. theta energy: -189.170 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: 2, replica: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2050.754350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.754350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.754350 (E_RNA) where: Base-Base interactions energy: -1402.769 where: short stacking energy: -582.946 Base-Backbone interact. energy: -2.701 local terms energy: -645.283996 where: bonds (distance) C4'-P energy: -121.981 bonds (distance) P-C4' energy: -118.698 flat angles C4'-P-C4' energy: -139.974 flat angles P-C4'-P energy: -90.407 tors. eta vs tors. theta energy: -174.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1954.707694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.707694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.707694 (E_RNA) where: Base-Base interactions energy: -1349.420 where: short stacking energy: -529.888 Base-Backbone interact. energy: -2.409 local terms energy: -602.878657 where: bonds (distance) C4'-P energy: -112.136 bonds (distance) P-C4' energy: -114.723 flat angles C4'-P-C4' energy: -125.649 flat angles P-C4'-P energy: -78.006 tors. eta vs tors. theta energy: -172.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1798.390894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.390894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.390894 (E_RNA) where: Base-Base interactions energy: -1227.241 where: short stacking energy: -501.343 Base-Backbone interact. energy: -3.652 local terms energy: -567.498376 where: bonds (distance) C4'-P energy: -111.385 bonds (distance) P-C4' energy: -112.671 flat angles C4'-P-C4' energy: -121.794 flat angles P-C4'-P energy: -80.857 tors. eta vs tors. theta energy: -140.792 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: 2 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1699.914568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.914568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.914568 (E_RNA) where: Base-Base interactions energy: -1128.018 where: short stacking energy: -492.663 Base-Backbone interact. energy: -0.473 local terms energy: -571.423234 where: bonds (distance) C4'-P energy: -96.048 bonds (distance) P-C4' energy: -121.807 flat angles C4'-P-C4' energy: -125.379 flat angles P-C4'-P energy: -89.019 tors. eta vs tors. theta energy: -139.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1701.165150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.165150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.165150 (E_RNA) where: Base-Base interactions energy: -1125.436 where: short stacking energy: -467.662 Base-Backbone interact. energy: -2.400 local terms energy: -573.328818 where: bonds (distance) C4'-P energy: -103.854 bonds (distance) P-C4' energy: -115.456 flat angles C4'-P-C4' energy: -124.271 flat angles P-C4'-P energy: -84.587 tors. eta vs tors. theta energy: -145.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1096.585537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.585537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.585537 (E_RNA) where: Base-Base interactions energy: -622.016 where: short stacking energy: -297.546 Base-Backbone interact. energy: -0.547 local terms energy: -474.022830 where: bonds (distance) C4'-P energy: -109.398 bonds (distance) P-C4' energy: -105.604 flat angles C4'-P-C4' energy: -106.254 flat angles P-C4'-P energy: -79.628 tors. eta vs tors. theta energy: -73.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -968.949217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.949217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.949217 (E_RNA) where: Base-Base interactions energy: -539.688 where: short stacking energy: -289.506 Base-Backbone interact. energy: 3.670 local terms energy: -432.930670 where: bonds (distance) C4'-P energy: -97.927 bonds (distance) P-C4' energy: -102.937 flat angles C4'-P-C4' energy: -106.130 flat angles P-C4'-P energy: -62.860 tors. eta vs tors. theta energy: -63.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -604.062109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.062109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.062109 (E_RNA) where: Base-Base interactions energy: -271.378 where: short stacking energy: -155.345 Base-Backbone interact. energy: -2.373 local terms energy: -330.310807 where: bonds (distance) C4'-P energy: -103.543 bonds (distance) P-C4' energy: -110.409 flat angles C4'-P-C4' energy: -89.588 flat angles P-C4'-P energy: -48.311 tors. eta vs tors. theta energy: 21.541 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: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -479.581446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.581446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.581446 (E_RNA) where: Base-Base interactions energy: -152.985 where: short stacking energy: -117.839 Base-Backbone interact. energy: -4.061 local terms energy: -322.535967 where: bonds (distance) C4'-P energy: -96.383 bonds (distance) P-C4' energy: -92.748 flat angles C4'-P-C4' energy: -92.776 flat angles P-C4'-P energy: -58.207 tors. eta vs tors. theta energy: 17.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2188.960574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.960574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.960574 (E_RNA) where: Base-Base interactions energy: -1533.669 where: short stacking energy: -597.837 Base-Backbone interact. energy: -0.873 local terms energy: -654.418649 where: bonds (distance) C4'-P energy: -107.836 bonds (distance) P-C4' energy: -126.177 flat angles C4'-P-C4' energy: -139.332 flat angles P-C4'-P energy: -101.565 tors. eta vs tors. theta energy: -179.508 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: 4 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2034.972966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.972966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.972966 (E_RNA) where: Base-Base interactions energy: -1369.369 where: short stacking energy: -585.190 Base-Backbone interact. energy: 1.766 local terms energy: -667.369850 where: bonds (distance) C4'-P energy: -131.212 bonds (distance) P-C4' energy: -125.125 flat angles C4'-P-C4' energy: -132.236 flat angles P-C4'-P energy: -93.484 tors. eta vs tors. theta energy: -185.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1992.106734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.106734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.106734 (E_RNA) where: Base-Base interactions energy: -1375.558 where: short stacking energy: -554.058 Base-Backbone interact. energy: -3.670 local terms energy: -612.878325 where: bonds (distance) C4'-P energy: -107.739 bonds (distance) P-C4' energy: -116.620 flat angles C4'-P-C4' energy: -132.600 flat angles P-C4'-P energy: -88.229 tors. eta vs tors. theta energy: -167.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1862.141623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.141623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.141623 (E_RNA) where: Base-Base interactions energy: -1275.592 where: short stacking energy: -514.998 Base-Backbone interact. energy: -1.455 local terms energy: -585.094623 where: bonds (distance) C4'-P energy: -112.842 bonds (distance) P-C4' energy: -110.952 flat angles C4'-P-C4' energy: -120.245 flat angles P-C4'-P energy: -89.115 tors. eta vs tors. theta energy: -151.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1679.482222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.482222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.482222 (E_RNA) where: Base-Base interactions energy: -1110.128 where: short stacking energy: -484.261 Base-Backbone interact. energy: 1.443 local terms energy: -570.797268 where: bonds (distance) C4'-P energy: -99.109 bonds (distance) P-C4' energy: -112.613 flat angles C4'-P-C4' energy: -128.615 flat angles P-C4'-P energy: -78.172 tors. eta vs tors. theta energy: -152.288 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: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1550.659852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.659852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.659852 (E_RNA) where: Base-Base interactions energy: -1022.858 where: short stacking energy: -447.188 Base-Backbone interact. energy: -2.231 local terms energy: -525.570227 where: bonds (distance) C4'-P energy: -103.899 bonds (distance) P-C4' energy: -103.117 flat angles C4'-P-C4' energy: -123.299 flat angles P-C4'-P energy: -74.171 tors. eta vs tors. theta energy: -121.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1144.303642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.303642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.303642 (E_RNA) where: Base-Base interactions energy: -688.835 where: short stacking energy: -317.601 Base-Backbone interact. energy: 0.375 local terms energy: -455.843197 where: bonds (distance) C4'-P energy: -109.528 bonds (distance) P-C4' energy: -116.977 flat angles C4'-P-C4' energy: -104.641 flat angles P-C4'-P energy: -65.893 tors. eta vs tors. theta energy: -58.805 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: 6 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -992.894003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.894003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.894003 (E_RNA) where: Base-Base interactions energy: -585.575 where: short stacking energy: -283.461 Base-Backbone interact. energy: -2.308 local terms energy: -405.010975 where: bonds (distance) C4'-P energy: -90.442 bonds (distance) P-C4' energy: -93.062 flat angles C4'-P-C4' energy: -110.043 flat angles P-C4'-P energy: -67.878 tors. eta vs tors. theta energy: -43.585 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: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -626.984084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.984084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.984084 (E_RNA) where: Base-Base interactions energy: -282.763 where: short stacking energy: -200.169 Base-Backbone interact. energy: 2.766 local terms energy: -346.987058 where: bonds (distance) C4'-P energy: -93.139 bonds (distance) P-C4' energy: -108.470 flat angles C4'-P-C4' energy: -72.191 flat angles P-C4'-P energy: -48.547 tors. eta vs tors. theta energy: -24.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -497.114824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.114824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.114824 (E_RNA) where: Base-Base interactions energy: -187.641 where: short stacking energy: -128.602 Base-Backbone interact. energy: 0.310 local terms energy: -309.783804 where: bonds (distance) C4'-P energy: -90.542 bonds (distance) P-C4' energy: -113.044 flat angles C4'-P-C4' energy: -80.005 flat angles P-C4'-P energy: -48.511 tors. eta vs tors. theta energy: 22.319 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: 1, replica: 1 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2172.402410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.402410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.402410 (E_RNA) where: Base-Base interactions energy: -1509.744 where: short stacking energy: -599.235 Base-Backbone interact. energy: -2.610 local terms energy: -660.047590 where: bonds (distance) C4'-P energy: -111.870 bonds (distance) P-C4' energy: -129.052 flat angles C4'-P-C4' energy: -141.934 flat angles P-C4'-P energy: -100.782 tors. eta vs tors. theta energy: -176.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2008.671394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.671394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.671394 (E_RNA) where: Base-Base interactions energy: -1366.640 where: short stacking energy: -553.157 Base-Backbone interact. energy: -5.668 local terms energy: -636.363459 where: bonds (distance) C4'-P energy: -122.451 bonds (distance) P-C4' energy: -122.045 flat angles C4'-P-C4' energy: -130.847 flat angles P-C4'-P energy: -88.877 tors. eta vs tors. theta energy: -172.143 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: 3, replica: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2003.274529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.274529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.274529 (E_RNA) where: Base-Base interactions energy: -1388.292 where: short stacking energy: -565.131 Base-Backbone interact. energy: -3.034 local terms energy: -611.949011 where: bonds (distance) C4'-P energy: -102.213 bonds (distance) P-C4' energy: -124.061 flat angles C4'-P-C4' energy: -133.328 flat angles P-C4'-P energy: -87.632 tors. eta vs tors. theta energy: -164.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1853.041071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.041071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.041071 (E_RNA) where: Base-Base interactions energy: -1252.861 where: short stacking energy: -510.076 Base-Backbone interact. energy: -1.939 local terms energy: -598.241616 where: bonds (distance) C4'-P energy: -94.742 bonds (distance) P-C4' energy: -117.009 flat angles C4'-P-C4' energy: -128.165 flat angles P-C4'-P energy: -94.846 tors. eta vs tors. theta energy: -163.480 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: 380 Temperature: 1.100000 Total energy: -1718.074326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.074326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.074326 (E_RNA) where: Base-Base interactions energy: -1118.081 where: short stacking energy: -504.459 Base-Backbone interact. energy: -0.954 local terms energy: -599.039443 where: bonds (distance) C4'-P energy: -116.696 bonds (distance) P-C4' energy: -123.903 flat angles C4'-P-C4' energy: -113.849 flat angles P-C4'-P energy: -88.524 tors. eta vs tors. theta energy: -156.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1569.706968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.706968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.706968 (E_RNA) where: Base-Base interactions energy: -1056.752 where: short stacking energy: -449.852 Base-Backbone interact. energy: -3.069 local terms energy: -509.886069 where: bonds (distance) C4'-P energy: -114.153 bonds (distance) P-C4' energy: -87.114 flat angles C4'-P-C4' energy: -114.836 flat angles P-C4'-P energy: -81.155 tors. eta vs tors. theta energy: -112.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1204.618621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.618621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.618621 (E_RNA) where: Base-Base interactions energy: -757.558 where: short stacking energy: -319.629 Base-Backbone interact. energy: -3.816 local terms energy: -443.244268 where: bonds (distance) C4'-P energy: -89.608 bonds (distance) P-C4' energy: -109.740 flat angles C4'-P-C4' energy: -113.306 flat angles P-C4'-P energy: -73.985 tors. eta vs tors. theta energy: -56.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1025.625518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.625518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.625518 (E_RNA) where: Base-Base interactions energy: -634.390 where: short stacking energy: -296.783 Base-Backbone interact. energy: -2.254 local terms energy: -388.980776 where: bonds (distance) C4'-P energy: -84.005 bonds (distance) P-C4' energy: -109.650 flat angles C4'-P-C4' energy: -108.153 flat angles P-C4'-P energy: -60.639 tors. eta vs tors. theta energy: -26.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -562.383214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.383214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.383214 (E_RNA) where: Base-Base interactions energy: -235.888 where: short stacking energy: -158.763 Base-Backbone interact. energy: -2.412 local terms energy: -324.082586 where: bonds (distance) C4'-P energy: -98.318 bonds (distance) P-C4' energy: -110.204 flat angles C4'-P-C4' energy: -98.025 flat angles P-C4'-P energy: -34.174 tors. eta vs tors. theta energy: 16.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -560.693226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.693226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.693226 (E_RNA) where: Base-Base interactions energy: -251.592 where: short stacking energy: -159.372 Base-Backbone interact. energy: 5.941 local terms energy: -315.041766 where: bonds (distance) C4'-P energy: -82.029 bonds (distance) P-C4' energy: -97.092 flat angles C4'-P-C4' energy: -88.111 flat angles P-C4'-P energy: -54.950 tors. eta vs tors. theta energy: 7.140 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: 1 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2164.234673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.234673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.234673 (E_RNA) where: Base-Base interactions energy: -1522.270 where: short stacking energy: -606.056 Base-Backbone interact. energy: 1.812 local terms energy: -643.776039 where: bonds (distance) C4'-P energy: -112.919 bonds (distance) P-C4' energy: -120.672 flat angles C4'-P-C4' energy: -136.593 flat angles P-C4'-P energy: -86.010 tors. eta vs tors. theta energy: -187.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2038.751876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.751876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.751876 (E_RNA) where: Base-Base interactions energy: -1413.723 where: short stacking energy: -571.061 Base-Backbone interact. energy: -3.076 local terms energy: -621.953224 where: bonds (distance) C4'-P energy: -119.915 bonds (distance) P-C4' energy: -114.119 flat angles C4'-P-C4' energy: -127.172 flat angles P-C4'-P energy: -81.027 tors. eta vs tors. theta energy: -179.720 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: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1997.822880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.822880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.822880 (E_RNA) where: Base-Base interactions energy: -1364.016 where: short stacking energy: -530.446 Base-Backbone interact. energy: -0.243 local terms energy: -633.564327 where: bonds (distance) C4'-P energy: -135.197 bonds (distance) P-C4' energy: -115.851 flat angles C4'-P-C4' energy: -131.004 flat angles P-C4'-P energy: -85.101 tors. eta vs tors. theta energy: -166.411 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: 4, replica: 5 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1879.901295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.901295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.901295 (E_RNA) where: Base-Base interactions energy: -1263.396 where: short stacking energy: -538.130 Base-Backbone interact. energy: 1.729 local terms energy: -618.233551 where: bonds (distance) C4'-P energy: -114.787 bonds (distance) P-C4' energy: -125.844 flat angles C4'-P-C4' energy: -130.767 flat angles P-C4'-P energy: -82.096 tors. eta vs tors. theta energy: -164.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1714.833799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.833799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.833799 (E_RNA) where: Base-Base interactions energy: -1164.046 where: short stacking energy: -482.620 Base-Backbone interact. energy: -1.985 local terms energy: -548.802902 where: bonds (distance) C4'-P energy: -93.001 bonds (distance) P-C4' energy: -102.709 flat angles C4'-P-C4' energy: -117.761 flat angles P-C4'-P energy: -87.729 tors. eta vs tors. theta energy: -147.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1536.596228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.596228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.596228 (E_RNA) where: Base-Base interactions energy: -1025.544 where: short stacking energy: -447.182 Base-Backbone interact. energy: -4.050 local terms energy: -507.001745 where: bonds (distance) C4'-P energy: -107.085 bonds (distance) P-C4' energy: -89.917 flat angles C4'-P-C4' energy: -123.551 flat angles P-C4'-P energy: -63.585 tors. eta vs tors. theta energy: -122.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1160.229660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.229660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.229660 (E_RNA) where: Base-Base interactions energy: -709.930 where: short stacking energy: -327.923 Base-Backbone interact. energy: -5.332 local terms energy: -444.967442 where: bonds (distance) C4'-P energy: -105.526 bonds (distance) P-C4' energy: -105.161 flat angles C4'-P-C4' energy: -100.505 flat angles P-C4'-P energy: -69.740 tors. eta vs tors. theta energy: -64.036 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: 6 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1019.759064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.759064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.759064 (E_RNA) where: Base-Base interactions energy: -600.556 where: short stacking energy: -293.387 Base-Backbone interact. energy: 3.481 local terms energy: -422.684119 where: bonds (distance) C4'-P energy: -88.769 bonds (distance) P-C4' energy: -123.200 flat angles C4'-P-C4' energy: -105.457 flat angles P-C4'-P energy: -60.932 tors. eta vs tors. theta energy: -44.327 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: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -504.044298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.044298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.044298 (E_RNA) where: Base-Base interactions energy: -190.349 where: short stacking energy: -161.171 Base-Backbone interact. energy: 5.265 local terms energy: -318.960426 where: bonds (distance) C4'-P energy: -73.012 bonds (distance) P-C4' energy: -110.281 flat angles C4'-P-C4' energy: -81.679 flat angles P-C4'-P energy: -64.639 tors. eta vs tors. theta energy: 10.651 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: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -577.176061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.176061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.176061 (E_RNA) where: Base-Base interactions energy: -261.356 where: short stacking energy: -185.002 Base-Backbone interact. energy: 2.475 local terms energy: -318.295370 where: bonds (distance) C4'-P energy: -95.058 bonds (distance) P-C4' energy: -84.019 flat angles C4'-P-C4' energy: -82.908 flat angles P-C4'-P energy: -52.954 tors. eta vs tors. theta energy: -3.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2165.435730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.435730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.435730 (E_RNA) where: Base-Base interactions energy: -1496.971 where: short stacking energy: -596.497 Base-Backbone interact. energy: -2.883 local terms energy: -665.581626 where: bonds (distance) C4'-P energy: -129.430 bonds (distance) P-C4' energy: -127.708 flat angles C4'-P-C4' energy: -135.291 flat angles P-C4'-P energy: -86.139 tors. eta vs tors. theta energy: -187.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2037.176465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.176465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.176465 (E_RNA) where: Base-Base interactions energy: -1404.682 where: short stacking energy: -575.908 Base-Backbone interact. energy: -2.535 local terms energy: -629.959580 where: bonds (distance) C4'-P energy: -118.241 bonds (distance) P-C4' energy: -115.453 flat angles C4'-P-C4' energy: -137.211 flat angles P-C4'-P energy: -82.361 tors. eta vs tors. theta energy: -176.694 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: 3, replica: 7 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2025.709348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.709348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.709348 (E_RNA) where: Base-Base interactions energy: -1410.897 where: short stacking energy: -572.773 Base-Backbone interact. energy: -1.097 local terms energy: -613.715402 where: bonds (distance) C4'-P energy: -110.173 bonds (distance) P-C4' energy: -107.677 flat angles C4'-P-C4' energy: -124.329 flat angles P-C4'-P energy: -95.174 tors. eta vs tors. theta energy: -176.362 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: 4, replica: 5 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1813.457444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.457444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.457444 (E_RNA) where: Base-Base interactions energy: -1229.424 where: short stacking energy: -515.396 Base-Backbone interact. energy: -1.552 local terms energy: -582.481582 where: bonds (distance) C4'-P energy: -109.410 bonds (distance) P-C4' energy: -113.581 flat angles C4'-P-C4' energy: -125.824 flat angles P-C4'-P energy: -79.247 tors. eta vs tors. theta energy: -154.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1707.534058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.534058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.534058 (E_RNA) where: Base-Base interactions energy: -1150.448 where: short stacking energy: -481.689 Base-Backbone interact. energy: -0.598 local terms energy: -556.488410 where: bonds (distance) C4'-P energy: -111.856 bonds (distance) P-C4' energy: -102.896 flat angles C4'-P-C4' energy: -123.340 flat angles P-C4'-P energy: -73.099 tors. eta vs tors. theta energy: -145.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1533.780705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.780705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.780705 (E_RNA) where: Base-Base interactions energy: -1010.642 where: short stacking energy: -426.017 Base-Backbone interact. energy: -3.534 local terms energy: -519.604100 where: bonds (distance) C4'-P energy: -111.557 bonds (distance) P-C4' energy: -96.733 flat angles C4'-P-C4' energy: -116.447 flat angles P-C4'-P energy: -76.053 tors. eta vs tors. theta energy: -118.815 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: 7, replica: 10 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1102.961262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.961262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.961262 (E_RNA) where: Base-Base interactions energy: -676.485 where: short stacking energy: -309.725 Base-Backbone interact. energy: -2.233 local terms energy: -424.242950 where: bonds (distance) C4'-P energy: -121.097 bonds (distance) P-C4' energy: -99.882 flat angles C4'-P-C4' energy: -96.675 flat angles P-C4'-P energy: -54.058 tors. eta vs tors. theta energy: -52.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1021.991340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.991340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.991340 (E_RNA) where: Base-Base interactions energy: -574.769 where: short stacking energy: -272.569 Base-Backbone interact. energy: -2.072 local terms energy: -445.150696 where: bonds (distance) C4'-P energy: -119.680 bonds (distance) P-C4' energy: -98.927 flat angles C4'-P-C4' energy: -115.680 flat angles P-C4'-P energy: -83.228 tors. eta vs tors. theta energy: -27.635 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: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -539.236223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.236223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.236223 (E_RNA) where: Base-Base interactions energy: -176.438 where: short stacking energy: -159.976 Base-Backbone interact. energy: 2.757 local terms energy: -365.554777 where: bonds (distance) C4'-P energy: -102.062 bonds (distance) P-C4' energy: -104.530 flat angles C4'-P-C4' energy: -100.646 flat angles P-C4'-P energy: -62.197 tors. eta vs tors. theta energy: 3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -574.881952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.881952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.881952 (E_RNA) where: Base-Base interactions energy: -271.448 where: short stacking energy: -181.803 Base-Backbone interact. energy: -0.234 local terms energy: -303.200172 where: bonds (distance) C4'-P energy: -89.674 bonds (distance) P-C4' energy: -82.270 flat angles C4'-P-C4' energy: -92.750 flat angles P-C4'-P energy: -37.665 tors. eta vs tors. theta energy: -0.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2196.408431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.408431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.408431 (E_RNA) where: Base-Base interactions energy: -1527.892 where: short stacking energy: -622.448 Base-Backbone interact. energy: -3.540 local terms energy: -664.975869 where: bonds (distance) C4'-P energy: -123.433 bonds (distance) P-C4' energy: -125.875 flat angles C4'-P-C4' energy: -134.335 flat angles P-C4'-P energy: -94.329 tors. eta vs tors. theta energy: -187.003 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: 4 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2052.667796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.667796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.667796 (E_RNA) where: Base-Base interactions energy: -1409.244 where: short stacking energy: -608.697 Base-Backbone interact. energy: -3.720 local terms energy: -639.704257 where: bonds (distance) C4'-P energy: -117.362 bonds (distance) P-C4' energy: -131.230 flat angles C4'-P-C4' energy: -140.555 flat angles P-C4'-P energy: -79.870 tors. eta vs tors. theta energy: -170.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1978.439612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.439612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.439612 (E_RNA) where: Base-Base interactions energy: -1357.666 where: short stacking energy: -563.831 Base-Backbone interact. energy: -0.789 local terms energy: -619.984816 where: bonds (distance) C4'-P energy: -107.380 bonds (distance) P-C4' energy: -108.872 flat angles C4'-P-C4' energy: -146.954 flat angles P-C4'-P energy: -84.121 tors. eta vs tors. theta energy: -172.659 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: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1817.980691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.980691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.980691 (E_RNA) where: Base-Base interactions energy: -1234.530 where: short stacking energy: -505.536 Base-Backbone interact. energy: -4.416 local terms energy: -579.034389 where: bonds (distance) C4'-P energy: -114.203 bonds (distance) P-C4' energy: -103.761 flat angles C4'-P-C4' energy: -136.675 flat angles P-C4'-P energy: -87.798 tors. eta vs tors. theta energy: -136.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1730.213237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.213237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.213237 (E_RNA) where: Base-Base interactions energy: -1156.905 where: short stacking energy: -506.991 Base-Backbone interact. energy: -3.675 local terms energy: -569.633482 where: bonds (distance) C4'-P energy: -98.997 bonds (distance) P-C4' energy: -100.946 flat angles C4'-P-C4' energy: -134.755 flat angles P-C4'-P energy: -82.971 tors. eta vs tors. theta energy: -151.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1524.101652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.101652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.101652 (E_RNA) where: Base-Base interactions energy: -1012.256 where: short stacking energy: -445.594 Base-Backbone interact. energy: -3.003 local terms energy: -508.842276 where: bonds (distance) C4'-P energy: -89.832 bonds (distance) P-C4' energy: -112.508 flat angles C4'-P-C4' energy: -130.536 flat angles P-C4'-P energy: -60.642 tors. eta vs tors. theta energy: -115.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1100.369086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.369086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.369086 (E_RNA) where: Base-Base interactions energy: -652.666 where: short stacking energy: -307.779 Base-Backbone interact. energy: -0.365 local terms energy: -447.337574 where: bonds (distance) C4'-P energy: -116.499 bonds (distance) P-C4' energy: -108.955 flat angles C4'-P-C4' energy: -80.920 flat angles P-C4'-P energy: -74.208 tors. eta vs tors. theta energy: -66.756 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: 6 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1047.811017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.811017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.811017 (E_RNA) where: Base-Base interactions energy: -633.550 where: short stacking energy: -277.432 Base-Backbone interact. energy: -0.692 local terms energy: -413.569061 where: bonds (distance) C4'-P energy: -115.288 bonds (distance) P-C4' energy: -117.782 flat angles C4'-P-C4' energy: -99.894 flat angles P-C4'-P energy: -50.005 tors. eta vs tors. theta energy: -30.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -566.510698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.510698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.510698 (E_RNA) where: Base-Base interactions energy: -247.027 where: short stacking energy: -168.529 Base-Backbone interact. energy: -3.127 local terms energy: -316.357147 where: bonds (distance) C4'-P energy: -103.910 bonds (distance) P-C4' energy: -103.526 flat angles C4'-P-C4' energy: -78.539 flat angles P-C4'-P energy: -44.077 tors. eta vs tors. theta energy: 13.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -600.664388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.664388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.664388 (E_RNA) where: Base-Base interactions energy: -271.522 where: short stacking energy: -149.610 Base-Backbone interact. energy: 1.533 local terms energy: -330.675741 where: bonds (distance) C4'-P energy: -85.861 bonds (distance) P-C4' energy: -108.393 flat angles C4'-P-C4' energy: -80.439 flat angles P-C4'-P energy: -59.966 tors. eta vs tors. theta energy: 3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2181.971486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.971486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.971486 (E_RNA) where: Base-Base interactions energy: -1535.896 where: short stacking energy: -610.863 Base-Backbone interact. energy: -3.530 local terms energy: -642.545669 where: bonds (distance) C4'-P energy: -121.391 bonds (distance) P-C4' energy: -121.253 flat angles C4'-P-C4' energy: -130.640 flat angles P-C4'-P energy: -89.244 tors. eta vs tors. theta energy: -180.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2032.142922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.142922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.142922 (E_RNA) where: Base-Base interactions energy: -1376.002 where: short stacking energy: -579.801 Base-Backbone interact. energy: -3.490 local terms energy: -652.651079 where: bonds (distance) C4'-P energy: -123.033 bonds (distance) P-C4' energy: -118.635 flat angles C4'-P-C4' energy: -130.575 flat angles P-C4'-P energy: -95.759 tors. eta vs tors. theta energy: -184.649 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: 3, replica: 7 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1954.632028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.632028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.632028 (E_RNA) where: Base-Base interactions energy: -1322.500 where: short stacking energy: -556.769 Base-Backbone interact. energy: -3.911 local terms energy: -628.220873 where: bonds (distance) C4'-P energy: -119.321 bonds (distance) P-C4' energy: -117.637 flat angles C4'-P-C4' energy: -134.323 flat angles P-C4'-P energy: -83.776 tors. eta vs tors. theta energy: -173.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1850.145025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.145025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.145025 (E_RNA) where: Base-Base interactions energy: -1288.734 where: short stacking energy: -493.793 Base-Backbone interact. energy: -2.335 local terms energy: -559.076497 where: bonds (distance) C4'-P energy: -104.628 bonds (distance) P-C4' energy: -83.287 flat angles C4'-P-C4' energy: -134.352 flat angles P-C4'-P energy: -93.455 tors. eta vs tors. theta energy: -143.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1717.985263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.985263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.985263 (E_RNA) where: Base-Base interactions energy: -1135.213 where: short stacking energy: -476.161 Base-Backbone interact. energy: -1.136 local terms energy: -581.636690 where: bonds (distance) C4'-P energy: -113.413 bonds (distance) P-C4' energy: -106.959 flat angles C4'-P-C4' energy: -125.251 flat angles P-C4'-P energy: -73.451 tors. eta vs tors. theta energy: -162.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1570.440090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.440090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.440090 (E_RNA) where: Base-Base interactions energy: -1042.205 where: short stacking energy: -442.235 Base-Backbone interact. energy: 1.324 local terms energy: -529.559603 where: bonds (distance) C4'-P energy: -107.065 bonds (distance) P-C4' energy: -111.949 flat angles C4'-P-C4' energy: -112.989 flat angles P-C4'-P energy: -77.371 tors. eta vs tors. theta energy: -120.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1085.684710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.684710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.684710 (E_RNA) where: Base-Base interactions energy: -661.692 where: short stacking energy: -291.047 Base-Backbone interact. energy: -3.551 local terms energy: -420.442000 where: bonds (distance) C4'-P energy: -105.395 bonds (distance) P-C4' energy: -92.297 flat angles C4'-P-C4' energy: -100.602 flat angles P-C4'-P energy: -71.390 tors. eta vs tors. theta energy: -50.758 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: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -978.318565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.318565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.318565 (E_RNA) where: Base-Base interactions energy: -589.850 where: short stacking energy: -265.095 Base-Backbone interact. energy: -4.142 local terms energy: -384.326680 where: bonds (distance) C4'-P energy: -100.922 bonds (distance) P-C4' energy: -119.630 flat angles C4'-P-C4' energy: -80.331 flat angles P-C4'-P energy: -51.816 tors. eta vs tors. theta energy: -31.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -660.671593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.671593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.671593 (E_RNA) where: Base-Base interactions energy: -315.326 where: short stacking energy: -182.907 Base-Backbone interact. energy: 5.178 local terms energy: -350.524514 where: bonds (distance) C4'-P energy: -99.007 bonds (distance) P-C4' energy: -112.959 flat angles C4'-P-C4' energy: -73.206 flat angles P-C4'-P energy: -57.572 tors. eta vs tors. theta energy: -7.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -523.709155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.709155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.709155 (E_RNA) where: Base-Base interactions energy: -210.906 where: short stacking energy: -146.302 Base-Backbone interact. energy: -0.489 local terms energy: -312.314071 where: bonds (distance) C4'-P energy: -103.983 bonds (distance) P-C4' energy: -114.537 flat angles C4'-P-C4' energy: -74.905 flat angles P-C4'-P energy: -38.640 tors. eta vs tors. theta energy: 19.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2174.131974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.131974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.131974 (E_RNA) where: Base-Base interactions energy: -1511.003 where: short stacking energy: -598.036 Base-Backbone interact. energy: 1.511 local terms energy: -664.639816 where: bonds (distance) C4'-P energy: -119.160 bonds (distance) P-C4' energy: -133.533 flat angles C4'-P-C4' energy: -138.080 flat angles P-C4'-P energy: -93.260 tors. eta vs tors. theta energy: -180.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2083.589930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.589930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.589930 (E_RNA) where: Base-Base interactions energy: -1422.036 where: short stacking energy: -624.893 Base-Backbone interact. energy: -1.651 local terms energy: -659.903580 where: bonds (distance) C4'-P energy: -119.200 bonds (distance) P-C4' energy: -111.552 flat angles C4'-P-C4' energy: -140.533 flat angles P-C4'-P energy: -94.011 tors. eta vs tors. theta energy: -194.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1962.654523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.654523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.654523 (E_RNA) where: Base-Base interactions energy: -1329.374 where: short stacking energy: -554.499 Base-Backbone interact. energy: -3.288 local terms energy: -629.992428 where: bonds (distance) C4'-P energy: -120.146 bonds (distance) P-C4' energy: -125.957 flat angles C4'-P-C4' energy: -134.395 flat angles P-C4'-P energy: -84.972 tors. eta vs tors. theta energy: -164.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1857.030871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.030871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.030871 (E_RNA) where: Base-Base interactions energy: -1251.205 where: short stacking energy: -498.630 Base-Backbone interact. energy: -0.949 local terms energy: -604.876768 where: bonds (distance) C4'-P energy: -130.189 bonds (distance) P-C4' energy: -113.219 flat angles C4'-P-C4' energy: -122.587 flat angles P-C4'-P energy: -90.428 tors. eta vs tors. theta energy: -148.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1728.020542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.020542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.020542 (E_RNA) where: Base-Base interactions energy: -1154.518 where: short stacking energy: -500.701 Base-Backbone interact. energy: -2.589 local terms energy: -570.914402 where: bonds (distance) C4'-P energy: -107.586 bonds (distance) P-C4' energy: -109.404 flat angles C4'-P-C4' energy: -137.973 flat angles P-C4'-P energy: -64.376 tors. eta vs tors. theta energy: -151.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1557.652441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.652441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.652441 (E_RNA) where: Base-Base interactions energy: -1026.851 where: short stacking energy: -435.099 Base-Backbone interact. energy: 1.102 local terms energy: -531.903913 where: bonds (distance) C4'-P energy: -107.142 bonds (distance) P-C4' energy: -120.129 flat angles C4'-P-C4' energy: -110.274 flat angles P-C4'-P energy: -79.921 tors. eta vs tors. theta energy: -114.439 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: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1145.494182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.494182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.494182 (E_RNA) where: Base-Base interactions energy: -674.749 where: short stacking energy: -322.764 Base-Backbone interact. energy: -4.163 local terms energy: -466.581781 where: bonds (distance) C4'-P energy: -108.885 bonds (distance) P-C4' energy: -104.349 flat angles C4'-P-C4' energy: -102.525 flat angles P-C4'-P energy: -82.030 tors. eta vs tors. theta energy: -68.793 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: 6 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -976.601895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.601895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.601895 (E_RNA) where: Base-Base interactions energy: -555.886 where: short stacking energy: -288.522 Base-Backbone interact. energy: -2.877 local terms energy: -417.838450 where: bonds (distance) C4'-P energy: -105.743 bonds (distance) P-C4' energy: -105.667 flat angles C4'-P-C4' energy: -102.601 flat angles P-C4'-P energy: -62.781 tors. eta vs tors. theta energy: -41.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -679.935613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.935613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.935613 (E_RNA) where: Base-Base interactions energy: -324.369 where: short stacking energy: -190.273 Base-Backbone interact. energy: -4.824 local terms energy: -350.743127 where: bonds (distance) C4'-P energy: -104.280 bonds (distance) P-C4' energy: -89.618 flat angles C4'-P-C4' energy: -93.005 flat angles P-C4'-P energy: -60.881 tors. eta vs tors. theta energy: -2.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -479.108376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.108376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.108376 (E_RNA) where: Base-Base interactions energy: -161.807 where: short stacking energy: -144.571 Base-Backbone interact. energy: 3.738 local terms energy: -321.038652 where: bonds (distance) C4'-P energy: -94.104 bonds (distance) P-C4' energy: -105.874 flat angles C4'-P-C4' energy: -79.990 flat angles P-C4'-P energy: -55.289 tors. eta vs tors. theta energy: 14.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2183.030256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.030256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.030256 (E_RNA) where: Base-Base interactions energy: -1527.176 where: short stacking energy: -623.416 Base-Backbone interact. energy: 0.030 local terms energy: -655.884280 where: bonds (distance) C4'-P energy: -110.386 bonds (distance) P-C4' energy: -129.519 flat angles C4'-P-C4' energy: -142.242 flat angles P-C4'-P energy: -90.262 tors. eta vs tors. theta energy: -183.475 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: 4 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2053.353917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.353917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.353917 (E_RNA) where: Base-Base interactions energy: -1409.848 where: short stacking energy: -603.594 Base-Backbone interact. energy: -1.742 local terms energy: -641.764497 where: bonds (distance) C4'-P energy: -116.807 bonds (distance) P-C4' energy: -109.263 flat angles C4'-P-C4' energy: -130.944 flat angles P-C4'-P energy: -93.927 tors. eta vs tors. theta energy: -190.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1947.568026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.568026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.568026 (E_RNA) where: Base-Base interactions energy: -1321.202 where: short stacking energy: -529.492 Base-Backbone interact. energy: -4.796 local terms energy: -621.570491 where: bonds (distance) C4'-P energy: -98.758 bonds (distance) P-C4' energy: -116.655 flat angles C4'-P-C4' energy: -147.187 flat angles P-C4'-P energy: -91.203 tors. eta vs tors. theta energy: -167.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1798.306641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.306641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.306641 (E_RNA) where: Base-Base interactions energy: -1202.539 where: short stacking energy: -514.644 Base-Backbone interact. energy: 5.057 local terms energy: -600.824710 where: bonds (distance) C4'-P energy: -107.907 bonds (distance) P-C4' energy: -114.449 flat angles C4'-P-C4' energy: -136.252 flat angles P-C4'-P energy: -82.406 tors. eta vs tors. theta energy: -159.810 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: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1743.029194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.029194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.029194 (E_RNA) where: Base-Base interactions energy: -1170.357 where: short stacking energy: -495.691 Base-Backbone interact. energy: -3.215 local terms energy: -569.457143 where: bonds (distance) C4'-P energy: -96.069 bonds (distance) P-C4' energy: -128.107 flat angles C4'-P-C4' energy: -125.444 flat angles P-C4'-P energy: -70.221 tors. eta vs tors. theta energy: -149.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1564.808284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.808284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.808284 (E_RNA) where: Base-Base interactions energy: -1015.132 where: short stacking energy: -452.418 Base-Backbone interact. energy: -3.148 local terms energy: -546.528133 where: bonds (distance) C4'-P energy: -111.749 bonds (distance) P-C4' energy: -123.598 flat angles C4'-P-C4' energy: -111.358 flat angles P-C4'-P energy: -64.483 tors. eta vs tors. theta energy: -135.340 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: 7, replica: 10 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1127.760365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.760365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.760365 (E_RNA) where: Base-Base interactions energy: -677.521 where: short stacking energy: -321.465 Base-Backbone interact. energy: -2.339 local terms energy: -447.900330 where: bonds (distance) C4'-P energy: -88.578 bonds (distance) P-C4' energy: -96.154 flat angles C4'-P-C4' energy: -110.455 flat angles P-C4'-P energy: -83.008 tors. eta vs tors. theta energy: -69.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -961.454364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.454364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.454364 (E_RNA) where: Base-Base interactions energy: -565.259 where: short stacking energy: -284.487 Base-Backbone interact. energy: -0.584 local terms energy: -395.611543 where: bonds (distance) C4'-P energy: -96.052 bonds (distance) P-C4' energy: -105.968 flat angles C4'-P-C4' energy: -92.951 flat angles P-C4'-P energy: -58.821 tors. eta vs tors. theta energy: -41.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -674.945582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.945582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.945582 (E_RNA) where: Base-Base interactions energy: -337.231 where: short stacking energy: -190.223 Base-Backbone interact. energy: -3.159 local terms energy: -334.555321 where: bonds (distance) C4'-P energy: -98.164 bonds (distance) P-C4' energy: -99.965 flat angles C4'-P-C4' energy: -84.823 flat angles P-C4'-P energy: -49.898 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -469.959225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.959225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.959225 (E_RNA) where: Base-Base interactions energy: -185.425 where: short stacking energy: -144.436 Base-Backbone interact. energy: -2.097 local terms energy: -282.436956 where: bonds (distance) C4'-P energy: -101.890 bonds (distance) P-C4' energy: -113.082 flat angles C4'-P-C4' energy: -56.360 flat angles P-C4'-P energy: -28.283 tors. eta vs tors. theta energy: 17.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2169.821572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.821572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.821572 (E_RNA) where: Base-Base interactions energy: -1495.732 where: short stacking energy: -594.506 Base-Backbone interact. energy: -1.857 local terms energy: -672.232259 where: bonds (distance) C4'-P energy: -125.228 bonds (distance) P-C4' energy: -136.657 flat angles C4'-P-C4' energy: -138.198 flat angles P-C4'-P energy: -84.284 tors. eta vs tors. theta energy: -187.865 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: 4 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2037.852459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.852459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.852459 (E_RNA) where: Base-Base interactions energy: -1402.590 where: short stacking energy: -575.269 Base-Backbone interact. energy: -3.304 local terms energy: -631.958214 where: bonds (distance) C4'-P energy: -109.707 bonds (distance) P-C4' energy: -105.539 flat angles C4'-P-C4' energy: -135.832 flat angles P-C4'-P energy: -92.198 tors. eta vs tors. theta energy: -188.681 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: 3, replica: 7 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1974.329781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.329781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.329781 (E_RNA) where: Base-Base interactions energy: -1375.225 where: short stacking energy: -557.347 Base-Backbone interact. energy: -2.248 local terms energy: -596.856560 where: bonds (distance) C4'-P energy: -109.334 bonds (distance) P-C4' energy: -109.152 flat angles C4'-P-C4' energy: -122.425 flat angles P-C4'-P energy: -82.211 tors. eta vs tors. theta energy: -173.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1813.710456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.710456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.710456 (E_RNA) where: Base-Base interactions energy: -1219.495 where: short stacking energy: -533.199 Base-Backbone interact. energy: 5.583 local terms energy: -599.797754 where: bonds (distance) C4'-P energy: -100.152 bonds (distance) P-C4' energy: -111.995 flat angles C4'-P-C4' energy: -124.702 flat angles P-C4'-P energy: -92.715 tors. eta vs tors. theta energy: -170.233 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: 387 Temperature: 1.100000 Total energy: -1679.077858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.077858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.077858 (E_RNA) where: Base-Base interactions energy: -1108.146 where: short stacking energy: -468.340 Base-Backbone interact. energy: -3.885 local terms energy: -567.046981 where: bonds (distance) C4'-P energy: -130.657 bonds (distance) P-C4' energy: -110.727 flat angles C4'-P-C4' energy: -114.332 flat angles P-C4'-P energy: -76.805 tors. eta vs tors. theta energy: -134.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1503.521977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.521977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.521977 (E_RNA) where: Base-Base interactions energy: -1002.188 where: short stacking energy: -415.075 Base-Backbone interact. energy: 1.995 local terms energy: -503.328389 where: bonds (distance) C4'-P energy: -101.918 bonds (distance) P-C4' energy: -116.653 flat angles C4'-P-C4' energy: -108.762 flat angles P-C4'-P energy: -66.241 tors. eta vs tors. theta energy: -109.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1150.898592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.898592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.898592 (E_RNA) where: Base-Base interactions energy: -702.485 where: short stacking energy: -338.208 Base-Backbone interact. energy: -3.531 local terms energy: -444.882812 where: bonds (distance) C4'-P energy: -84.230 bonds (distance) P-C4' energy: -117.431 flat angles C4'-P-C4' energy: -98.441 flat angles P-C4'-P energy: -73.037 tors. eta vs tors. theta energy: -71.744 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: 6 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -934.237723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.237723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.237723 (E_RNA) where: Base-Base interactions energy: -522.215 where: short stacking energy: -246.523 Base-Backbone interact. energy: -1.236 local terms energy: -410.786532 where: bonds (distance) C4'-P energy: -87.742 bonds (distance) P-C4' energy: -107.650 flat angles C4'-P-C4' energy: -102.210 flat angles P-C4'-P energy: -76.883 tors. eta vs tors. theta energy: -36.302 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: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -697.139160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.139160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.139160 (E_RNA) where: Base-Base interactions energy: -345.860 where: short stacking energy: -197.589 Base-Backbone interact. energy: -1.598 local terms energy: -349.680485 where: bonds (distance) C4'-P energy: -104.303 bonds (distance) P-C4' energy: -116.949 flat angles C4'-P-C4' energy: -90.742 flat angles P-C4'-P energy: -31.766 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -490.604087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.604087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.604087 (E_RNA) where: Base-Base interactions energy: -168.464 where: short stacking energy: -125.007 Base-Backbone interact. energy: -0.954 local terms energy: -321.186218 where: bonds (distance) C4'-P energy: -93.712 bonds (distance) P-C4' energy: -108.602 flat angles C4'-P-C4' energy: -91.015 flat angles P-C4'-P energy: -53.748 tors. eta vs tors. theta energy: 25.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2174.549920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.549920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.549920 (E_RNA) where: Base-Base interactions energy: -1493.354 where: short stacking energy: -590.874 Base-Backbone interact. energy: -3.757 local terms energy: -677.439574 where: bonds (distance) C4'-P energy: -132.052 bonds (distance) P-C4' energy: -125.136 flat angles C4'-P-C4' energy: -133.769 flat angles P-C4'-P energy: -98.532 tors. eta vs tors. theta energy: -187.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2039.232416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.232416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.232416 (E_RNA) where: Base-Base interactions energy: -1422.211 where: short stacking energy: -594.643 Base-Backbone interact. energy: -4.824 local terms energy: -612.196775 where: bonds (distance) C4'-P energy: -101.555 bonds (distance) P-C4' energy: -113.809 flat angles C4'-P-C4' energy: -126.358 flat angles P-C4'-P energy: -86.643 tors. eta vs tors. theta energy: -183.831 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: 7 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1948.178878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.178878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.178878 (E_RNA) where: Base-Base interactions energy: -1335.329 where: short stacking energy: -551.823 Base-Backbone interact. energy: -0.041 local terms energy: -612.809249 where: bonds (distance) C4'-P energy: -114.069 bonds (distance) P-C4' energy: -113.245 flat angles C4'-P-C4' energy: -125.709 flat angles P-C4'-P energy: -95.612 tors. eta vs tors. theta energy: -164.175 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: 4, replica: 5 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1765.702413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.702413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.702413 (E_RNA) where: Base-Base interactions energy: -1196.942 where: short stacking energy: -510.037 Base-Backbone interact. energy: -2.743 local terms energy: -566.018106 where: bonds (distance) C4'-P energy: -101.189 bonds (distance) P-C4' energy: -111.740 flat angles C4'-P-C4' energy: -121.097 flat angles P-C4'-P energy: -82.797 tors. eta vs tors. theta energy: -149.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1729.621390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.621390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.621390 (E_RNA) where: Base-Base interactions energy: -1177.864 where: short stacking energy: -502.743 Base-Backbone interact. energy: -1.272 local terms energy: -550.485364 where: bonds (distance) C4'-P energy: -91.327 bonds (distance) P-C4' energy: -107.576 flat angles C4'-P-C4' energy: -114.222 flat angles P-C4'-P energy: -76.222 tors. eta vs tors. theta energy: -161.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1600.821444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.821444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.821444 (E_RNA) where: Base-Base interactions energy: -1066.607 where: short stacking energy: -459.644 Base-Backbone interact. energy: 0.793 local terms energy: -535.008053 where: bonds (distance) C4'-P energy: -104.648 bonds (distance) P-C4' energy: -112.506 flat angles C4'-P-C4' energy: -109.937 flat angles P-C4'-P energy: -81.601 tors. eta vs tors. theta energy: -126.315 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: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1200.070850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.070850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.070850 (E_RNA) where: Base-Base interactions energy: -748.140 where: short stacking energy: -342.321 Base-Backbone interact. energy: -0.785 local terms energy: -451.145987 where: bonds (distance) C4'-P energy: -106.325 bonds (distance) P-C4' energy: -106.614 flat angles C4'-P-C4' energy: -101.302 flat angles P-C4'-P energy: -71.163 tors. eta vs tors. theta energy: -65.742 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: 8, replica: 6 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -964.637528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.637528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.637528 (E_RNA) where: Base-Base interactions energy: -557.814 where: short stacking energy: -273.455 Base-Backbone interact. energy: 3.626 local terms energy: -410.449796 where: bonds (distance) C4'-P energy: -107.063 bonds (distance) P-C4' energy: -101.537 flat angles C4'-P-C4' energy: -99.288 flat angles P-C4'-P energy: -43.369 tors. eta vs tors. theta energy: -59.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -674.623124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.623124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.623124 (E_RNA) where: Base-Base interactions energy: -313.605 where: short stacking energy: -162.679 Base-Backbone interact. energy: -1.441 local terms energy: -359.577551 where: bonds (distance) C4'-P energy: -109.443 bonds (distance) P-C4' energy: -110.855 flat angles C4'-P-C4' energy: -85.642 flat angles P-C4'-P energy: -55.809 tors. eta vs tors. theta energy: 2.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -445.852562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.852562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.852562 (E_RNA) where: Base-Base interactions energy: -157.107 where: short stacking energy: -138.905 Base-Backbone interact. energy: 2.226 local terms energy: -290.971788 where: bonds (distance) C4'-P energy: -86.789 bonds (distance) P-C4' energy: -107.919 flat angles C4'-P-C4' energy: -77.513 flat angles P-C4'-P energy: -43.763 tors. eta vs tors. theta energy: 25.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2183.491137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.491137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.491137 (E_RNA) where: Base-Base interactions energy: -1520.955 where: short stacking energy: -608.266 Base-Backbone interact. energy: -3.728 local terms energy: -658.808397 where: bonds (distance) C4'-P energy: -116.243 bonds (distance) P-C4' energy: -114.784 flat angles C4'-P-C4' energy: -148.354 flat angles P-C4'-P energy: -98.103 tors. eta vs tors. theta energy: -181.325 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: 4 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2055.726562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.726562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.726562 (E_RNA) where: Base-Base interactions energy: -1400.213 where: short stacking energy: -583.182 Base-Backbone interact. energy: -5.767 local terms energy: -649.745952 where: bonds (distance) C4'-P energy: -132.738 bonds (distance) P-C4' energy: -118.798 flat angles C4'-P-C4' energy: -123.422 flat angles P-C4'-P energy: -93.364 tors. eta vs tors. theta energy: -181.424 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: 7 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1993.859889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.859889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.859889 (E_RNA) where: Base-Base interactions energy: -1402.233 where: short stacking energy: -586.306 Base-Backbone interact. energy: 0.670 local terms energy: -592.297511 where: bonds (distance) C4'-P energy: -113.781 bonds (distance) P-C4' energy: -100.153 flat angles C4'-P-C4' energy: -131.848 flat angles P-C4'-P energy: -75.826 tors. eta vs tors. theta energy: -170.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1801.079833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.079833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.079833 (E_RNA) where: Base-Base interactions energy: -1198.747 where: short stacking energy: -519.183 Base-Backbone interact. energy: -4.655 local terms energy: -597.678179 where: bonds (distance) C4'-P energy: -104.712 bonds (distance) P-C4' energy: -117.854 flat angles C4'-P-C4' energy: -134.450 flat angles P-C4'-P energy: -84.804 tors. eta vs tors. theta energy: -155.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1750.221603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.221603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.221603 (E_RNA) where: Base-Base interactions energy: -1169.398 where: short stacking energy: -494.714 Base-Backbone interact. energy: -2.158 local terms energy: -578.666041 where: bonds (distance) C4'-P energy: -108.105 bonds (distance) P-C4' energy: -130.802 flat angles C4'-P-C4' energy: -114.661 flat angles P-C4'-P energy: -83.071 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: 6, replica: 3 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1534.704538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.704538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.704538 (E_RNA) where: Base-Base interactions energy: -1037.161 where: short stacking energy: -419.058 Base-Backbone interact. energy: 0.216 local terms energy: -497.760220 where: bonds (distance) C4'-P energy: -110.612 bonds (distance) P-C4' energy: -96.180 flat angles C4'-P-C4' energy: -97.698 flat angles P-C4'-P energy: -74.377 tors. eta vs tors. theta energy: -118.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1271.331017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.331017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.331017 (E_RNA) where: Base-Base interactions energy: -795.453 where: short stacking energy: -363.614 Base-Backbone interact. energy: -1.412 local terms energy: -474.465507 where: bonds (distance) C4'-P energy: -100.678 bonds (distance) P-C4' energy: -115.071 flat angles C4'-P-C4' energy: -100.036 flat angles P-C4'-P energy: -79.659 tors. eta vs tors. theta energy: -79.021 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: 8, replica: 6 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -953.724504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.724504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.724504 (E_RNA) where: Base-Base interactions energy: -574.166 where: short stacking energy: -278.332 Base-Backbone interact. energy: 1.360 local terms energy: -380.919027 where: bonds (distance) C4'-P energy: -96.521 bonds (distance) P-C4' energy: -110.535 flat angles C4'-P-C4' energy: -86.330 flat angles P-C4'-P energy: -53.426 tors. eta vs tors. theta energy: -34.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -694.821357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.821357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.821357 (E_RNA) where: Base-Base interactions energy: -362.298 where: short stacking energy: -208.873 Base-Backbone interact. energy: 3.056 local terms energy: -335.579095 where: bonds (distance) C4'-P energy: -86.296 bonds (distance) P-C4' energy: -97.013 flat angles C4'-P-C4' energy: -67.775 flat angles P-C4'-P energy: -72.151 tors. eta vs tors. theta energy: -12.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -478.443228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.443228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.443228 (E_RNA) where: Base-Base interactions energy: -169.458 where: short stacking energy: -118.531 Base-Backbone interact. energy: -0.266 local terms energy: -308.719750 where: bonds (distance) C4'-P energy: -102.855 bonds (distance) P-C4' energy: -110.605 flat angles C4'-P-C4' energy: -66.065 flat angles P-C4'-P energy: -53.073 tors. eta vs tors. theta energy: 23.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2180.325877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.325877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.325877 (E_RNA) where: Base-Base interactions energy: -1515.812 where: short stacking energy: -611.389 Base-Backbone interact. energy: -2.180 local terms energy: -662.333307 where: bonds (distance) C4'-P energy: -122.537 bonds (distance) P-C4' energy: -121.791 flat angles C4'-P-C4' energy: -132.108 flat angles P-C4'-P energy: -99.491 tors. eta vs tors. theta energy: -186.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2068.801545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.801545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.801545 (E_RNA) where: Base-Base interactions energy: -1428.864 where: short stacking energy: -590.038 Base-Backbone interact. energy: 4.720 local terms energy: -644.656988 where: bonds (distance) C4'-P energy: -111.273 bonds (distance) P-C4' energy: -110.072 flat angles C4'-P-C4' energy: -140.662 flat angles P-C4'-P energy: -101.873 tors. eta vs tors. theta energy: -180.777 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: 7 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1970.233800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.233800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.233800 (E_RNA) where: Base-Base interactions energy: -1356.028 where: short stacking energy: -573.301 Base-Backbone interact. energy: -3.943 local terms energy: -610.262400 where: bonds (distance) C4'-P energy: -102.137 bonds (distance) P-C4' energy: -113.916 flat angles C4'-P-C4' energy: -124.642 flat angles P-C4'-P energy: -83.197 tors. eta vs tors. theta energy: -186.370 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: 390 Temperature: 1.050000 Total energy: -1796.836445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.836445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.836445 (E_RNA) where: Base-Base interactions energy: -1196.151 where: short stacking energy: -521.762 Base-Backbone interact. energy: 4.146 local terms energy: -604.831754 where: bonds (distance) C4'-P energy: -119.952 bonds (distance) P-C4' energy: -106.891 flat angles C4'-P-C4' energy: -133.798 flat angles P-C4'-P energy: -83.204 tors. eta vs tors. theta energy: -160.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1737.138245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.138245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.138245 (E_RNA) where: Base-Base interactions energy: -1170.496 where: short stacking energy: -503.634 Base-Backbone interact. energy: -3.454 local terms energy: -563.188723 where: bonds (distance) C4'-P energy: -95.382 bonds (distance) P-C4' energy: -118.953 flat angles C4'-P-C4' energy: -123.273 flat angles P-C4'-P energy: -84.290 tors. eta vs tors. theta energy: -141.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1498.743430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.743430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.743430 (E_RNA) where: Base-Base interactions energy: -967.995 where: short stacking energy: -395.067 Base-Backbone interact. energy: -0.106 local terms energy: -530.642375 where: bonds (distance) C4'-P energy: -111.220 bonds (distance) P-C4' energy: -112.973 flat angles C4'-P-C4' energy: -120.352 flat angles P-C4'-P energy: -83.813 tors. eta vs tors. theta energy: -102.283 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: 7, replica: 10 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1308.261436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.261436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.261436 (E_RNA) where: Base-Base interactions energy: -813.482 where: short stacking energy: -345.259 Base-Backbone interact. energy: -1.541 local terms energy: -493.238572 where: bonds (distance) C4'-P energy: -115.549 bonds (distance) P-C4' energy: -117.528 flat angles C4'-P-C4' energy: -94.136 flat angles P-C4'-P energy: -73.430 tors. eta vs tors. theta energy: -92.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -901.531296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.531296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.531296 (E_RNA) where: Base-Base interactions energy: -493.803 where: short stacking energy: -261.089 Base-Backbone interact. energy: -2.015 local terms energy: -405.713589 where: bonds (distance) C4'-P energy: -103.221 bonds (distance) P-C4' energy: -114.940 flat angles C4'-P-C4' energy: -80.183 flat angles P-C4'-P energy: -62.932 tors. eta vs tors. theta energy: -44.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -704.507829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.507829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.507829 (E_RNA) where: Base-Base interactions energy: -352.058 where: short stacking energy: -187.154 Base-Backbone interact. energy: -2.522 local terms energy: -349.927783 where: bonds (distance) C4'-P energy: -91.167 bonds (distance) P-C4' energy: -117.429 flat angles C4'-P-C4' energy: -83.920 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -8.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -503.076931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.076931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.076931 (E_RNA) where: Base-Base interactions energy: -168.721 where: short stacking energy: -120.271 Base-Backbone interact. energy: 0.705 local terms energy: -335.060152 where: bonds (distance) C4'-P energy: -101.142 bonds (distance) P-C4' energy: -111.263 flat angles C4'-P-C4' energy: -91.036 flat angles P-C4'-P energy: -47.522 tors. eta vs tors. theta energy: 15.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2158.814134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.814134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.814134 (E_RNA) where: Base-Base interactions energy: -1496.293 where: short stacking energy: -617.049 Base-Backbone interact. energy: -0.639 local terms energy: -661.881986 where: bonds (distance) C4'-P energy: -129.047 bonds (distance) P-C4' energy: -118.347 flat angles C4'-P-C4' energy: -143.647 flat angles P-C4'-P energy: -86.140 tors. eta vs tors. theta energy: -184.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2035.304890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.304890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.304890 (E_RNA) where: Base-Base interactions energy: -1412.104 where: short stacking energy: -593.758 Base-Backbone interact. energy: -1.195 local terms energy: -622.005834 where: bonds (distance) C4'-P energy: -105.351 bonds (distance) P-C4' energy: -128.393 flat angles C4'-P-C4' energy: -130.824 flat angles P-C4'-P energy: -83.043 tors. eta vs tors. theta energy: -174.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1965.018770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.018770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.018770 (E_RNA) where: Base-Base interactions energy: -1337.239 where: short stacking energy: -577.156 Base-Backbone interact. energy: -4.405 local terms energy: -623.374921 where: bonds (distance) C4'-P energy: -113.735 bonds (distance) P-C4' energy: -123.683 flat angles C4'-P-C4' energy: -120.565 flat angles P-C4'-P energy: -85.454 tors. eta vs tors. theta energy: -179.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1800.581413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.581413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.581413 (E_RNA) where: Base-Base interactions energy: -1192.847 where: short stacking energy: -522.380 Base-Backbone interact. energy: -3.689 local terms energy: -604.045206 where: bonds (distance) C4'-P energy: -110.313 bonds (distance) P-C4' energy: -113.452 flat angles C4'-P-C4' energy: -127.242 flat angles P-C4'-P energy: -86.886 tors. eta vs tors. theta energy: -166.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1745.762565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.762565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.762565 (E_RNA) where: Base-Base interactions energy: -1210.052 where: short stacking energy: -498.791 Base-Backbone interact. energy: 1.102 local terms energy: -536.812651 where: bonds (distance) C4'-P energy: -104.583 bonds (distance) P-C4' energy: -100.902 flat angles C4'-P-C4' energy: -112.388 flat angles P-C4'-P energy: -79.717 tors. eta vs tors. theta energy: -139.223 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: 3 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1517.983452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.983452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.983452 (E_RNA) where: Base-Base interactions energy: -1007.495 where: short stacking energy: -427.877 Base-Backbone interact. energy: 0.334 local terms energy: -510.822266 where: bonds (distance) C4'-P energy: -100.028 bonds (distance) P-C4' energy: -114.264 flat angles C4'-P-C4' energy: -113.126 flat angles P-C4'-P energy: -77.568 tors. eta vs tors. theta energy: -105.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1340.415546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.415546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.415546 (E_RNA) where: Base-Base interactions energy: -873.781 where: short stacking energy: -390.246 Base-Backbone interact. energy: -2.196 local terms energy: -464.438182 where: bonds (distance) C4'-P energy: -92.094 bonds (distance) P-C4' energy: -101.517 flat angles C4'-P-C4' energy: -88.826 flat angles P-C4'-P energy: -77.726 tors. eta vs tors. theta energy: -104.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -916.656879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.656879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.656879 (E_RNA) where: Base-Base interactions energy: -564.818 where: short stacking energy: -276.869 Base-Backbone interact. energy: -2.144 local terms energy: -349.694769 where: bonds (distance) C4'-P energy: -81.187 bonds (distance) P-C4' energy: -96.083 flat angles C4'-P-C4' energy: -97.939 flat angles P-C4'-P energy: -45.400 tors. eta vs tors. theta energy: -29.086 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: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -691.578192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.578192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.578192 (E_RNA) where: Base-Base interactions energy: -342.578 where: short stacking energy: -212.981 Base-Backbone interact. energy: 4.448 local terms energy: -353.448562 where: bonds (distance) C4'-P energy: -79.645 bonds (distance) P-C4' energy: -98.014 flat angles C4'-P-C4' energy: -106.814 flat angles P-C4'-P energy: -41.522 tors. eta vs tors. theta energy: -27.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -455.458941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.458941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.458941 (E_RNA) where: Base-Base interactions energy: -144.548 where: short stacking energy: -129.674 Base-Backbone interact. energy: -2.155 local terms energy: -308.755943 where: bonds (distance) C4'-P energy: -105.867 bonds (distance) P-C4' energy: -94.948 flat angles C4'-P-C4' energy: -85.969 flat angles P-C4'-P energy: -41.732 tors. eta vs tors. theta energy: 19.760 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: 1 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2210.032200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.032200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.032200 (E_RNA) where: Base-Base interactions energy: -1550.320 where: short stacking energy: -629.260 Base-Backbone interact. energy: 1.728 local terms energy: -661.440235 where: bonds (distance) C4'-P energy: -129.598 bonds (distance) P-C4' energy: -123.782 flat angles C4'-P-C4' energy: -124.852 flat angles P-C4'-P energy: -88.011 tors. eta vs tors. theta energy: -195.196 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: 4 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2020.022066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.022066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.022066 (E_RNA) where: Base-Base interactions energy: -1373.098 where: short stacking energy: -571.744 Base-Backbone interact. energy: 0.297 local terms energy: -647.221559 where: bonds (distance) C4'-P energy: -119.142 bonds (distance) P-C4' energy: -120.079 flat angles C4'-P-C4' energy: -139.723 flat angles P-C4'-P energy: -92.918 tors. eta vs tors. theta energy: -175.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1978.942550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.942550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.942550 (E_RNA) where: Base-Base interactions energy: -1336.389 where: short stacking energy: -558.043 Base-Backbone interact. energy: -3.026 local terms energy: -639.527347 where: bonds (distance) C4'-P energy: -115.444 bonds (distance) P-C4' energy: -121.951 flat angles C4'-P-C4' energy: -138.208 flat angles P-C4'-P energy: -78.947 tors. eta vs tors. theta energy: -184.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1818.450879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.450879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.450879 (E_RNA) where: Base-Base interactions energy: -1224.851 where: short stacking energy: -538.273 Base-Backbone interact. energy: -1.068 local terms energy: -592.531735 where: bonds (distance) C4'-P energy: -101.356 bonds (distance) P-C4' energy: -120.629 flat angles C4'-P-C4' energy: -133.147 flat angles P-C4'-P energy: -70.204 tors. eta vs tors. theta energy: -167.196 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: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1788.348471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.348471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.348471 (E_RNA) where: Base-Base interactions energy: -1218.647 where: short stacking energy: -500.414 Base-Backbone interact. energy: -2.131 local terms energy: -567.569901 where: bonds (distance) C4'-P energy: -106.802 bonds (distance) P-C4' energy: -111.642 flat angles C4'-P-C4' energy: -123.373 flat angles P-C4'-P energy: -56.574 tors. eta vs tors. theta energy: -169.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1566.811911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.811911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.811911 (E_RNA) where: Base-Base interactions energy: -1056.151 where: short stacking energy: -443.273 Base-Backbone interact. energy: -0.322 local terms energy: -510.338718 where: bonds (distance) C4'-P energy: -105.579 bonds (distance) P-C4' energy: -112.316 flat angles C4'-P-C4' energy: -113.672 flat angles P-C4'-P energy: -66.763 tors. eta vs tors. theta energy: -112.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1352.352525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.352525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.352525 (E_RNA) where: Base-Base interactions energy: -852.658 where: short stacking energy: -386.030 Base-Backbone interact. energy: -0.859 local terms energy: -498.836051 where: bonds (distance) C4'-P energy: -117.173 bonds (distance) P-C4' energy: -97.134 flat angles C4'-P-C4' energy: -121.543 flat angles P-C4'-P energy: -64.966 tors. eta vs tors. theta energy: -98.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -953.148842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.148842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.148842 (E_RNA) where: Base-Base interactions energy: -544.172 where: short stacking energy: -247.016 Base-Backbone interact. energy: 0.025 local terms energy: -409.002532 where: bonds (distance) C4'-P energy: -87.716 bonds (distance) P-C4' energy: -112.774 flat angles C4'-P-C4' energy: -97.295 flat angles P-C4'-P energy: -69.585 tors. eta vs tors. theta energy: -41.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -686.238540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.238540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.238540 (E_RNA) where: Base-Base interactions energy: -340.151 where: short stacking energy: -181.005 Base-Backbone interact. energy: -1.524 local terms energy: -344.563551 where: bonds (distance) C4'-P energy: -107.243 bonds (distance) P-C4' energy: -96.425 flat angles C4'-P-C4' energy: -80.389 flat angles P-C4'-P energy: -63.581 tors. eta vs tors. theta energy: 3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -473.475187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.475187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.475187 (E_RNA) where: Base-Base interactions energy: -177.178 where: short stacking energy: -155.372 Base-Backbone interact. energy: -0.240 local terms energy: -296.056479 where: bonds (distance) C4'-P energy: -104.325 bonds (distance) P-C4' energy: -98.413 flat angles C4'-P-C4' energy: -80.931 flat angles P-C4'-P energy: -37.372 tors. eta vs tors. theta energy: 24.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2211.652164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.652164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.652164 (E_RNA) where: Base-Base interactions energy: -1538.522 where: short stacking energy: -610.236 Base-Backbone interact. energy: -1.672 local terms energy: -671.458562 where: bonds (distance) C4'-P energy: -130.557 bonds (distance) P-C4' energy: -130.458 flat angles C4'-P-C4' energy: -136.716 flat angles P-C4'-P energy: -93.549 tors. eta vs tors. theta energy: -180.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2050.595539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.595539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.595539 (E_RNA) where: Base-Base interactions energy: -1393.558 where: short stacking energy: -584.398 Base-Backbone interact. energy: 1.016 local terms energy: -658.052597 where: bonds (distance) C4'-P energy: -121.025 bonds (distance) P-C4' energy: -119.251 flat angles C4'-P-C4' energy: -142.155 flat angles P-C4'-P energy: -81.587 tors. eta vs tors. theta energy: -194.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1971.688431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.688431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.688431 (E_RNA) where: Base-Base interactions energy: -1340.067 where: short stacking energy: -576.915 Base-Backbone interact. energy: -3.323 local terms energy: -628.298597 where: bonds (distance) C4'-P energy: -115.572 bonds (distance) P-C4' energy: -120.176 flat angles C4'-P-C4' energy: -139.807 flat angles P-C4'-P energy: -90.988 tors. eta vs tors. theta energy: -161.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1772.579944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.579944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.579944 (E_RNA) where: Base-Base interactions energy: -1182.376 where: short stacking energy: -533.686 Base-Backbone interact. energy: -1.174 local terms energy: -589.029972 where: bonds (distance) C4'-P energy: -112.415 bonds (distance) P-C4' energy: -110.800 flat angles C4'-P-C4' energy: -108.717 flat angles P-C4'-P energy: -86.953 tors. eta vs tors. theta energy: -170.145 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: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1767.721603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.721603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.721603 (E_RNA) where: Base-Base interactions energy: -1203.922 where: short stacking energy: -508.981 Base-Backbone interact. energy: -2.304 local terms energy: -561.495918 where: bonds (distance) C4'-P energy: -101.546 bonds (distance) P-C4' energy: -118.588 flat angles C4'-P-C4' energy: -121.980 flat angles P-C4'-P energy: -67.334 tors. eta vs tors. theta energy: -152.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1652.623335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.623335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.623335 (E_RNA) where: Base-Base interactions energy: -1141.674 where: short stacking energy: -488.970 Base-Backbone interact. energy: 0.144 local terms energy: -511.092859 where: bonds (distance) C4'-P energy: -105.083 bonds (distance) P-C4' energy: -94.197 flat angles C4'-P-C4' energy: -114.510 flat angles P-C4'-P energy: -65.073 tors. eta vs tors. theta energy: -132.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1270.498540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.498540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.498540 (E_RNA) where: Base-Base interactions energy: -819.473 where: short stacking energy: -374.031 Base-Backbone interact. energy: -2.394 local terms energy: -448.630782 where: bonds (distance) C4'-P energy: -101.638 bonds (distance) P-C4' energy: -95.405 flat angles C4'-P-C4' energy: -119.538 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: -82.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -928.615257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.615257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.615257 (E_RNA) where: Base-Base interactions energy: -514.604 where: short stacking energy: -251.942 Base-Backbone interact. energy: 2.635 local terms energy: -416.645990 where: bonds (distance) C4'-P energy: -85.999 bonds (distance) P-C4' energy: -121.229 flat angles C4'-P-C4' energy: -98.519 flat angles P-C4'-P energy: -78.829 tors. eta vs tors. theta energy: -32.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -626.608313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.608313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.608313 (E_RNA) where: Base-Base interactions energy: -294.004 where: short stacking energy: -180.356 Base-Backbone interact. energy: 4.837 local terms energy: -337.441168 where: bonds (distance) C4'-P energy: -104.009 bonds (distance) P-C4' energy: -110.122 flat angles C4'-P-C4' energy: -76.573 flat angles P-C4'-P energy: -51.254 tors. eta vs tors. theta energy: 4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -451.693508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.693508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.693508 (E_RNA) where: Base-Base interactions energy: -149.064 where: short stacking energy: -134.460 Base-Backbone interact. energy: -1.473 local terms energy: -301.156090 where: bonds (distance) C4'-P energy: -86.281 bonds (distance) P-C4' energy: -110.369 flat angles C4'-P-C4' energy: -84.071 flat angles P-C4'-P energy: -54.093 tors. eta vs tors. theta energy: 33.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2182.805576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.805576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.805576 (E_RNA) where: Base-Base interactions energy: -1525.815 where: short stacking energy: -616.795 Base-Backbone interact. energy: 3.239 local terms energy: -660.230113 where: bonds (distance) C4'-P energy: -128.712 bonds (distance) P-C4' energy: -114.501 flat angles C4'-P-C4' energy: -138.349 flat angles P-C4'-P energy: -95.198 tors. eta vs tors. theta energy: -183.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2066.192502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.192502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.192502 (E_RNA) where: Base-Base interactions energy: -1426.894 where: short stacking energy: -606.239 Base-Backbone interact. energy: -1.754 local terms energy: -637.544370 where: bonds (distance) C4'-P energy: -90.393 bonds (distance) P-C4' energy: -122.486 flat angles C4'-P-C4' energy: -151.913 flat angles P-C4'-P energy: -92.539 tors. eta vs tors. theta energy: -180.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1971.800419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.800419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.800419 (E_RNA) where: Base-Base interactions energy: -1348.815 where: short stacking energy: -569.160 Base-Backbone interact. energy: -2.013 local terms energy: -620.972706 where: bonds (distance) C4'-P energy: -122.059 bonds (distance) P-C4' energy: -106.707 flat angles C4'-P-C4' energy: -137.359 flat angles P-C4'-P energy: -82.773 tors. eta vs tors. theta energy: -172.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1827.011724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.011724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.011724 (E_RNA) where: Base-Base interactions energy: -1224.639 where: short stacking energy: -526.024 Base-Backbone interact. energy: 4.098 local terms energy: -606.470031 where: bonds (distance) C4'-P energy: -122.321 bonds (distance) P-C4' energy: -107.659 flat angles C4'-P-C4' energy: -134.243 flat angles P-C4'-P energy: -88.203 tors. eta vs tors. theta energy: -154.043 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: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1746.867846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.867846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.867846 (E_RNA) where: Base-Base interactions energy: -1176.277 where: short stacking energy: -494.478 Base-Backbone interact. energy: -2.130 local terms energy: -568.461169 where: bonds (distance) C4'-P energy: -103.595 bonds (distance) P-C4' energy: -121.421 flat angles C4'-P-C4' energy: -119.677 flat angles P-C4'-P energy: -79.209 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: 6, replica: 3 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1586.294490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.294490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.294490 (E_RNA) where: Base-Base interactions energy: -1031.265 where: short stacking energy: -439.803 Base-Backbone interact. energy: -2.358 local terms energy: -552.672136 where: bonds (distance) C4'-P energy: -127.805 bonds (distance) P-C4' energy: -109.203 flat angles C4'-P-C4' energy: -121.324 flat angles P-C4'-P energy: -73.423 tors. eta vs tors. theta energy: -120.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1280.783348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.783348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.783348 (E_RNA) where: Base-Base interactions energy: -811.308 where: short stacking energy: -362.338 Base-Backbone interact. energy: -0.201 local terms energy: -469.274547 where: bonds (distance) C4'-P energy: -104.538 bonds (distance) P-C4' energy: -103.333 flat angles C4'-P-C4' energy: -107.466 flat angles P-C4'-P energy: -59.872 tors. eta vs tors. theta energy: -94.065 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: 6 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -906.031234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.031234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.031234 (E_RNA) where: Base-Base interactions energy: -534.411 where: short stacking energy: -248.073 Base-Backbone interact. energy: -0.810 local terms energy: -370.810349 where: bonds (distance) C4'-P energy: -95.380 bonds (distance) P-C4' energy: -102.838 flat angles C4'-P-C4' energy: -86.698 flat angles P-C4'-P energy: -61.322 tors. eta vs tors. theta energy: -24.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -598.981738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.981738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.981738 (E_RNA) where: Base-Base interactions energy: -261.644 where: short stacking energy: -178.402 Base-Backbone interact. energy: -2.153 local terms energy: -335.184910 where: bonds (distance) C4'-P energy: -74.621 bonds (distance) P-C4' energy: -95.050 flat angles C4'-P-C4' energy: -95.408 flat angles P-C4'-P energy: -69.888 tors. eta vs tors. theta energy: -0.219 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: 10, replica: 9 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -490.974957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.974957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.974957 (E_RNA) where: Base-Base interactions energy: -173.531 where: short stacking energy: -152.692 Base-Backbone interact. energy: 1.770 local terms energy: -319.213731 where: bonds (distance) C4'-P energy: -99.919 bonds (distance) P-C4' energy: -95.388 flat angles C4'-P-C4' energy: -82.332 flat angles P-C4'-P energy: -67.167 tors. eta vs tors. theta energy: 25.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2181.488940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.488940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.488940 (E_RNA) where: Base-Base interactions energy: -1501.384 where: short stacking energy: -604.500 Base-Backbone interact. energy: -1.460 local terms energy: -678.645016 where: bonds (distance) C4'-P energy: -132.103 bonds (distance) P-C4' energy: -130.571 flat angles C4'-P-C4' energy: -137.535 flat angles P-C4'-P energy: -92.449 tors. eta vs tors. theta energy: -185.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2053.777686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.777686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.777686 (E_RNA) where: Base-Base interactions energy: -1421.826 where: short stacking energy: -602.025 Base-Backbone interact. energy: -3.311 local terms energy: -628.640299 where: bonds (distance) C4'-P energy: -109.108 bonds (distance) P-C4' energy: -111.902 flat angles C4'-P-C4' energy: -127.678 flat angles P-C4'-P energy: -91.478 tors. eta vs tors. theta energy: -188.474 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: 3, replica: 4 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2009.251191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.251191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.251191 (E_RNA) where: Base-Base interactions energy: -1383.727 where: short stacking energy: -565.684 Base-Backbone interact. energy: -2.292 local terms energy: -623.231941 where: bonds (distance) C4'-P energy: -108.185 bonds (distance) P-C4' energy: -114.058 flat angles C4'-P-C4' energy: -129.362 flat angles P-C4'-P energy: -85.237 tors. eta vs tors. theta energy: -186.390 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: 4, replica: 2 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1823.243411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.243411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.243411 (E_RNA) where: Base-Base interactions energy: -1243.482 where: short stacking energy: -526.428 Base-Backbone interact. energy: 4.687 local terms energy: -584.448249 where: bonds (distance) C4'-P energy: -112.995 bonds (distance) P-C4' energy: -108.543 flat angles C4'-P-C4' energy: -117.651 flat angles P-C4'-P energy: -88.963 tors. eta vs tors. theta energy: -156.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1732.734035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.734035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.734035 (E_RNA) where: Base-Base interactions energy: -1169.825 where: short stacking energy: -471.815 Base-Backbone interact. energy: -2.751 local terms energy: -560.158269 where: bonds (distance) C4'-P energy: -113.041 bonds (distance) P-C4' energy: -96.785 flat angles C4'-P-C4' energy: -134.285 flat angles P-C4'-P energy: -75.421 tors. eta vs tors. theta energy: -140.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1493.729971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.729971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.729971 (E_RNA) where: Base-Base interactions energy: -978.147 where: short stacking energy: -415.805 Base-Backbone interact. energy: -2.275 local terms energy: -513.308117 where: bonds (distance) C4'-P energy: -91.200 bonds (distance) P-C4' energy: -120.429 flat angles C4'-P-C4' energy: -115.535 flat angles P-C4'-P energy: -68.066 tors. eta vs tors. theta energy: -118.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1265.808552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.808552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.808552 (E_RNA) where: Base-Base interactions energy: -817.820 where: short stacking energy: -344.600 Base-Backbone interact. energy: -1.207 local terms energy: -446.781241 where: bonds (distance) C4'-P energy: -105.060 bonds (distance) P-C4' energy: -87.349 flat angles C4'-P-C4' energy: -107.302 flat angles P-C4'-P energy: -74.626 tors. eta vs tors. theta energy: -72.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -961.864431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.864431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.864431 (E_RNA) where: Base-Base interactions energy: -564.389 where: short stacking energy: -283.308 Base-Backbone interact. energy: -1.608 local terms energy: -395.867524 where: bonds (distance) C4'-P energy: -98.879 bonds (distance) P-C4' energy: -101.282 flat angles C4'-P-C4' energy: -102.495 flat angles P-C4'-P energy: -47.436 tors. eta vs tors. theta energy: -45.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -595.990629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.990629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.990629 (E_RNA) where: Base-Base interactions energy: -271.578 where: short stacking energy: -164.439 Base-Backbone interact. energy: -1.673 local terms energy: -322.739226 where: bonds (distance) C4'-P energy: -85.949 bonds (distance) P-C4' energy: -102.100 flat angles C4'-P-C4' energy: -100.064 flat angles P-C4'-P energy: -53.486 tors. eta vs tors. theta energy: 18.860 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: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -486.111885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.111885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.111885 (E_RNA) where: Base-Base interactions energy: -148.222 where: short stacking energy: -132.678 Base-Backbone interact. energy: 7.478 local terms energy: -345.366953 where: bonds (distance) C4'-P energy: -116.012 bonds (distance) P-C4' energy: -114.020 flat angles C4'-P-C4' energy: -104.986 flat angles P-C4'-P energy: -36.531 tors. eta vs tors. theta energy: 26.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2163.723055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.723055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.723055 (E_RNA) where: Base-Base interactions energy: -1508.187 where: short stacking energy: -620.738 Base-Backbone interact. energy: -0.476 local terms energy: -655.059573 where: bonds (distance) C4'-P energy: -122.303 bonds (distance) P-C4' energy: -129.035 flat angles C4'-P-C4' energy: -134.126 flat angles P-C4'-P energy: -92.677 tors. eta vs tors. theta energy: -176.919 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: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2081.238815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.238815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.238815 (E_RNA) where: Base-Base interactions energy: -1429.421 where: short stacking energy: -609.367 Base-Backbone interact. energy: -2.289 local terms energy: -649.528830 where: bonds (distance) C4'-P energy: -129.736 bonds (distance) P-C4' energy: -104.154 flat angles C4'-P-C4' energy: -132.763 flat angles P-C4'-P energy: -90.679 tors. eta vs tors. theta energy: -192.197 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: 4 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2011.520544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.520544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.520544 (E_RNA) where: Base-Base interactions energy: -1415.687 where: short stacking energy: -582.233 Base-Backbone interact. energy: -3.459 local terms energy: -592.374493 where: bonds (distance) C4'-P energy: -101.812 bonds (distance) P-C4' energy: -107.184 flat angles C4'-P-C4' energy: -124.154 flat angles P-C4'-P energy: -88.004 tors. eta vs tors. theta energy: -171.222 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: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1820.354696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.354696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.354696 (E_RNA) where: Base-Base interactions energy: -1214.352 where: short stacking energy: -544.153 Base-Backbone interact. energy: -1.320 local terms energy: -604.682585 where: bonds (distance) C4'-P energy: -124.596 bonds (distance) P-C4' energy: -96.245 flat angles C4'-P-C4' energy: -128.348 flat angles P-C4'-P energy: -87.251 tors. eta vs tors. theta energy: -168.242 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: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1729.389281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.389281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.389281 (E_RNA) where: Base-Base interactions energy: -1139.794 where: short stacking energy: -484.865 Base-Backbone interact. energy: -2.043 local terms energy: -587.551985 where: bonds (distance) C4'-P energy: -114.881 bonds (distance) P-C4' energy: -116.988 flat angles C4'-P-C4' energy: -126.022 flat angles P-C4'-P energy: -78.446 tors. eta vs tors. theta energy: -151.216 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: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1534.220235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.220235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.220235 (E_RNA) where: Base-Base interactions energy: -1024.318 where: short stacking energy: -433.130 Base-Backbone interact. energy: -2.846 local terms energy: -507.056517 where: bonds (distance) C4'-P energy: -99.774 bonds (distance) P-C4' energy: -113.562 flat angles C4'-P-C4' energy: -98.039 flat angles P-C4'-P energy: -79.212 tors. eta vs tors. theta energy: -116.470 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: 10 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1239.743356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.743356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.743356 (E_RNA) where: Base-Base interactions energy: -782.583 where: short stacking energy: -362.472 Base-Backbone interact. energy: -2.377 local terms energy: -454.783045 where: bonds (distance) C4'-P energy: -91.376 bonds (distance) P-C4' energy: -117.078 flat angles C4'-P-C4' energy: -101.292 flat angles P-C4'-P energy: -63.734 tors. eta vs tors. theta energy: -81.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -925.531265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.531265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.531265 (E_RNA) where: Base-Base interactions energy: -522.095 where: short stacking energy: -245.172 Base-Backbone interact. energy: -2.810 local terms energy: -400.626809 where: bonds (distance) C4'-P energy: -87.902 bonds (distance) P-C4' energy: -104.527 flat angles C4'-P-C4' energy: -108.750 flat angles P-C4'-P energy: -66.427 tors. eta vs tors. theta energy: -33.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -579.501840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.501840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.501840 (E_RNA) where: Base-Base interactions energy: -244.212 where: short stacking energy: -160.542 Base-Backbone interact. energy: -0.743 local terms energy: -334.546972 where: bonds (distance) C4'-P energy: -93.365 bonds (distance) P-C4' energy: -104.620 flat angles C4'-P-C4' energy: -91.571 flat angles P-C4'-P energy: -59.791 tors. eta vs tors. theta energy: 14.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -446.100702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.100702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.100702 (E_RNA) where: Base-Base interactions energy: -133.707 where: short stacking energy: -113.898 Base-Backbone interact. energy: 2.995 local terms energy: -315.388521 where: bonds (distance) C4'-P energy: -103.506 bonds (distance) P-C4' energy: -106.213 flat angles C4'-P-C4' energy: -73.610 flat angles P-C4'-P energy: -57.254 tors. eta vs tors. theta energy: 25.194 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: 1 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2157.392443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.392443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.392443 (E_RNA) where: Base-Base interactions energy: -1500.516 where: short stacking energy: -596.489 Base-Backbone interact. energy: -0.864 local terms energy: -656.012903 where: bonds (distance) C4'-P energy: -122.789 bonds (distance) P-C4' energy: -130.692 flat angles C4'-P-C4' energy: -133.196 flat angles P-C4'-P energy: -92.207 tors. eta vs tors. theta energy: -177.128 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: 2, replica: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2090.857131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.857131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.857131 (E_RNA) where: Base-Base interactions energy: -1420.521 where: short stacking energy: -602.885 Base-Backbone interact. energy: -0.994 local terms energy: -669.341895 where: bonds (distance) C4'-P energy: -113.608 bonds (distance) P-C4' energy: -118.274 flat angles C4'-P-C4' energy: -145.835 flat angles P-C4'-P energy: -105.121 tors. eta vs tors. theta energy: -186.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1986.962689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.962689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.962689 (E_RNA) where: Base-Base interactions energy: -1372.245 where: short stacking energy: -564.232 Base-Backbone interact. energy: 2.784 local terms energy: -617.501172 where: bonds (distance) C4'-P energy: -110.230 bonds (distance) P-C4' energy: -125.296 flat angles C4'-P-C4' energy: -132.042 flat angles P-C4'-P energy: -83.170 tors. eta vs tors. theta energy: -166.762 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: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1759.602091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.602091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.602091 (E_RNA) where: Base-Base interactions energy: -1180.202 where: short stacking energy: -510.693 Base-Backbone interact. energy: -0.469 local terms energy: -578.930866 where: bonds (distance) C4'-P energy: -120.462 bonds (distance) P-C4' energy: -102.324 flat angles C4'-P-C4' energy: -125.090 flat angles P-C4'-P energy: -84.157 tors. eta vs tors. theta energy: -146.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1698.916659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.916659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.916659 (E_RNA) where: Base-Base interactions energy: -1146.123 where: short stacking energy: -457.551 Base-Backbone interact. energy: -0.712 local terms energy: -552.082210 where: bonds (distance) C4'-P energy: -96.265 bonds (distance) P-C4' energy: -121.791 flat angles C4'-P-C4' energy: -125.703 flat angles P-C4'-P energy: -78.130 tors. eta vs tors. theta energy: -130.193 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: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1538.135641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.135641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.135641 (E_RNA) where: Base-Base interactions energy: -1021.236 where: short stacking energy: -432.052 Base-Backbone interact. energy: 0.870 local terms energy: -517.770006 where: bonds (distance) C4'-P energy: -101.224 bonds (distance) P-C4' energy: -109.724 flat angles C4'-P-C4' energy: -110.631 flat angles P-C4'-P energy: -70.525 tors. eta vs tors. theta energy: -125.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1286.657636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.657636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.657636 (E_RNA) where: Base-Base interactions energy: -794.640 where: short stacking energy: -337.830 Base-Backbone interact. energy: 0.151 local terms energy: -492.169446 where: bonds (distance) C4'-P energy: -111.408 bonds (distance) P-C4' energy: -115.761 flat angles C4'-P-C4' energy: -109.117 flat angles P-C4'-P energy: -75.268 tors. eta vs tors. theta energy: -80.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -953.491816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.491816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.491816 (E_RNA) where: Base-Base interactions energy: -521.906 where: short stacking energy: -257.926 Base-Backbone interact. energy: -6.258 local terms energy: -425.328305 where: bonds (distance) C4'-P energy: -105.453 bonds (distance) P-C4' energy: -106.036 flat angles C4'-P-C4' energy: -102.956 flat angles P-C4'-P energy: -74.838 tors. eta vs tors. theta energy: -36.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -619.901605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.901605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.901605 (E_RNA) where: Base-Base interactions energy: -275.029 where: short stacking energy: -164.740 Base-Backbone interact. energy: 2.986 local terms energy: -347.858410 where: bonds (distance) C4'-P energy: -110.266 bonds (distance) P-C4' energy: -103.665 flat angles C4'-P-C4' energy: -95.247 flat angles P-C4'-P energy: -48.038 tors. eta vs tors. theta energy: 9.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -470.342276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.342276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.342276 (E_RNA) where: Base-Base interactions energy: -134.684 where: short stacking energy: -124.619 Base-Backbone interact. energy: -0.201 local terms energy: -335.457182 where: bonds (distance) C4'-P energy: -99.020 bonds (distance) P-C4' energy: -105.564 flat angles C4'-P-C4' energy: -94.063 flat angles P-C4'-P energy: -54.991 tors. eta vs tors. theta energy: 18.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2177.908410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.908410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.908410 (E_RNA) where: Base-Base interactions energy: -1496.246 where: short stacking energy: -620.361 Base-Backbone interact. energy: -2.555 local terms energy: -679.108246 where: bonds (distance) C4'-P energy: -122.398 bonds (distance) P-C4' energy: -138.730 flat angles C4'-P-C4' energy: -139.759 flat angles P-C4'-P energy: -91.088 tors. eta vs tors. theta energy: -187.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2065.180148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.180148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.180148 (E_RNA) where: Base-Base interactions energy: -1427.222 where: short stacking energy: -601.144 Base-Backbone interact. energy: -1.473 local terms energy: -636.485338 where: bonds (distance) C4'-P energy: -104.397 bonds (distance) P-C4' energy: -121.131 flat angles C4'-P-C4' energy: -135.170 flat angles P-C4'-P energy: -93.083 tors. eta vs tors. theta energy: -182.704 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: 4 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2010.547713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.547713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.547713 (E_RNA) where: Base-Base interactions energy: -1390.731 where: short stacking energy: -580.301 Base-Backbone interact. energy: -2.575 local terms energy: -617.241634 where: bonds (distance) C4'-P energy: -107.064 bonds (distance) P-C4' energy: -106.057 flat angles C4'-P-C4' energy: -140.291 flat angles P-C4'-P energy: -95.370 tors. eta vs tors. theta energy: -168.460 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: 2 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1779.212343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.212343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.212343 (E_RNA) where: Base-Base interactions energy: -1166.497 where: short stacking energy: -502.084 Base-Backbone interact. energy: -3.572 local terms energy: -609.143561 where: bonds (distance) C4'-P energy: -116.882 bonds (distance) P-C4' energy: -119.660 flat angles C4'-P-C4' energy: -133.015 flat angles P-C4'-P energy: -84.650 tors. eta vs tors. theta energy: -154.936 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: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1720.914542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.914542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.914542 (E_RNA) where: Base-Base interactions energy: -1149.286 where: short stacking energy: -507.116 Base-Backbone interact. energy: 5.769 local terms energy: -577.397071 where: bonds (distance) C4'-P energy: -106.769 bonds (distance) P-C4' energy: -111.101 flat angles C4'-P-C4' energy: -122.333 flat angles P-C4'-P energy: -86.524 tors. eta vs tors. theta energy: -150.670 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: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1559.412736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.412736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.412736 (E_RNA) where: Base-Base interactions energy: -1054.027 where: short stacking energy: -452.260 Base-Backbone interact. energy: 0.221 local terms energy: -505.607449 where: bonds (distance) C4'-P energy: -100.890 bonds (distance) P-C4' energy: -88.514 flat angles C4'-P-C4' energy: -119.858 flat angles P-C4'-P energy: -72.382 tors. eta vs tors. theta energy: -123.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1215.400500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.400500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.400500 (E_RNA) where: Base-Base interactions energy: -760.044 where: short stacking energy: -356.583 Base-Backbone interact. energy: -0.722 local terms energy: -454.634585 where: bonds (distance) C4'-P energy: -97.556 bonds (distance) P-C4' energy: -95.155 flat angles C4'-P-C4' energy: -108.604 flat angles P-C4'-P energy: -74.799 tors. eta vs tors. theta energy: -78.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -862.118342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.118342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.118342 (E_RNA) where: Base-Base interactions energy: -501.370 where: short stacking energy: -248.112 Base-Backbone interact. energy: 1.844 local terms energy: -362.592920 where: bonds (distance) C4'-P energy: -91.278 bonds (distance) P-C4' energy: -92.104 flat angles C4'-P-C4' energy: -106.946 flat angles P-C4'-P energy: -65.441 tors. eta vs tors. theta energy: -6.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -601.018005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.018005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.018005 (E_RNA) where: Base-Base interactions energy: -255.682 where: short stacking energy: -163.567 Base-Backbone interact. energy: -0.277 local terms energy: -345.059026 where: bonds (distance) C4'-P energy: -102.046 bonds (distance) P-C4' energy: -112.425 flat angles C4'-P-C4' energy: -94.426 flat angles P-C4'-P energy: -46.499 tors. eta vs tors. theta energy: 10.336 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: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -475.064264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.064264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.064264 (E_RNA) where: Base-Base interactions energy: -152.544 where: short stacking energy: -143.182 Base-Backbone interact. energy: -1.161 local terms energy: -321.359113 where: bonds (distance) C4'-P energy: -91.726 bonds (distance) P-C4' energy: -97.785 flat angles C4'-P-C4' energy: -88.460 flat angles P-C4'-P energy: -55.182 tors. eta vs tors. theta energy: 11.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2191.867094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.867094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.867094 (E_RNA) where: Base-Base interactions energy: -1525.913 where: short stacking energy: -619.578 Base-Backbone interact. energy: -1.846 local terms energy: -664.108399 where: bonds (distance) C4'-P energy: -126.592 bonds (distance) P-C4' energy: -132.425 flat angles C4'-P-C4' energy: -131.114 flat angles P-C4'-P energy: -91.157 tors. eta vs tors. theta energy: -182.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2038.425240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.425240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.425240 (E_RNA) where: Base-Base interactions energy: -1402.515 where: short stacking energy: -598.199 Base-Backbone interact. energy: -5.102 local terms energy: -630.808176 where: bonds (distance) C4'-P energy: -119.288 bonds (distance) P-C4' energy: -110.304 flat angles C4'-P-C4' energy: -133.072 flat angles P-C4'-P energy: -88.284 tors. eta vs tors. theta energy: -179.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1999.907536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.907536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.907536 (E_RNA) where: Base-Base interactions energy: -1376.266 where: short stacking energy: -564.030 Base-Backbone interact. energy: 1.204 local terms energy: -624.844578 where: bonds (distance) C4'-P energy: -112.878 bonds (distance) P-C4' energy: -116.225 flat angles C4'-P-C4' energy: -138.825 flat angles P-C4'-P energy: -79.520 tors. eta vs tors. theta energy: -177.397 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: 2 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1743.541123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.541123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.541123 (E_RNA) where: Base-Base interactions energy: -1179.220 where: short stacking energy: -508.606 Base-Backbone interact. energy: 0.455 local terms energy: -564.776015 where: bonds (distance) C4'-P energy: -100.725 bonds (distance) P-C4' energy: -109.979 flat angles C4'-P-C4' energy: -129.115 flat angles P-C4'-P energy: -83.113 tors. eta vs tors. theta energy: -141.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1669.582723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.582723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.582723 (E_RNA) where: Base-Base interactions energy: -1109.213 where: short stacking energy: -469.414 Base-Backbone interact. energy: 0.182 local terms energy: -560.551719 where: bonds (distance) C4'-P energy: -99.289 bonds (distance) P-C4' energy: -114.715 flat angles C4'-P-C4' energy: -130.172 flat angles P-C4'-P energy: -79.124 tors. eta vs tors. theta energy: -137.253 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: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1591.232782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.232782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.232782 (E_RNA) where: Base-Base interactions energy: -1042.109 where: short stacking energy: -448.927 Base-Backbone interact. energy: -0.515 local terms energy: -548.609033 where: bonds (distance) C4'-P energy: -106.275 bonds (distance) P-C4' energy: -120.808 flat angles C4'-P-C4' energy: -122.180 flat angles P-C4'-P energy: -78.281 tors. eta vs tors. theta energy: -121.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1301.060688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.060688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.060688 (E_RNA) where: Base-Base interactions energy: -815.780 where: short stacking energy: -359.386 Base-Backbone interact. energy: 0.452 local terms energy: -485.732376 where: bonds (distance) C4'-P energy: -107.227 bonds (distance) P-C4' energy: -109.189 flat angles C4'-P-C4' energy: -108.809 flat angles P-C4'-P energy: -68.562 tors. eta vs tors. theta energy: -91.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -901.335802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.335802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.335802 (E_RNA) where: Base-Base interactions energy: -480.381 where: short stacking energy: -245.088 Base-Backbone interact. energy: -2.496 local terms energy: -418.458236 where: bonds (distance) C4'-P energy: -84.730 bonds (distance) P-C4' energy: -123.563 flat angles C4'-P-C4' energy: -109.077 flat angles P-C4'-P energy: -71.580 tors. eta vs tors. theta energy: -29.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -593.717380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.717380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.717380 (E_RNA) where: Base-Base interactions energy: -250.261 where: short stacking energy: -146.973 Base-Backbone interact. energy: 0.822 local terms energy: -344.279232 where: bonds (distance) C4'-P energy: -107.128 bonds (distance) P-C4' energy: -95.681 flat angles C4'-P-C4' energy: -91.767 flat angles P-C4'-P energy: -52.466 tors. eta vs tors. theta energy: 2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -498.796819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.796819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.796819 (E_RNA) where: Base-Base interactions energy: -188.619 where: short stacking energy: -137.269 Base-Backbone interact. energy: 4.647 local terms energy: -314.824415 where: bonds (distance) C4'-P energy: -98.424 bonds (distance) P-C4' energy: -112.083 flat angles C4'-P-C4' energy: -78.968 flat angles P-C4'-P energy: -40.361 tors. eta vs tors. theta energy: 15.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2201.716626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.716626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.716626 (E_RNA) where: Base-Base interactions energy: -1545.032 where: short stacking energy: -627.586 Base-Backbone interact. energy: 2.511 local terms energy: -659.195400 where: bonds (distance) C4'-P energy: -117.951 bonds (distance) P-C4' energy: -117.189 flat angles C4'-P-C4' energy: -137.927 flat angles P-C4'-P energy: -103.219 tors. eta vs tors. theta energy: -182.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2059.561656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.561656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.561656 (E_RNA) where: Base-Base interactions energy: -1405.721 where: short stacking energy: -592.075 Base-Backbone interact. energy: -4.561 local terms energy: -649.280270 where: bonds (distance) C4'-P energy: -123.991 bonds (distance) P-C4' energy: -127.589 flat angles C4'-P-C4' energy: -132.610 flat angles P-C4'-P energy: -87.172 tors. eta vs tors. theta energy: -177.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2016.829642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.829642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.829642 (E_RNA) where: Base-Base interactions energy: -1365.252 where: short stacking energy: -583.777 Base-Backbone interact. energy: -1.745 local terms energy: -649.832783 where: bonds (distance) C4'-P energy: -116.463 bonds (distance) P-C4' energy: -124.575 flat angles C4'-P-C4' energy: -142.543 flat angles P-C4'-P energy: -90.552 tors. eta vs tors. theta energy: -175.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1790.322474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.322474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.322474 (E_RNA) where: Base-Base interactions energy: -1212.886 where: short stacking energy: -529.392 Base-Backbone interact. energy: -2.655 local terms energy: -574.781515 where: bonds (distance) C4'-P energy: -112.956 bonds (distance) P-C4' energy: -109.865 flat angles C4'-P-C4' energy: -127.192 flat angles P-C4'-P energy: -76.371 tors. eta vs tors. theta energy: -148.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1687.690229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.690229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.690229 (E_RNA) where: Base-Base interactions energy: -1146.605 where: short stacking energy: -478.963 Base-Backbone interact. energy: -0.883 local terms energy: -540.202766 where: bonds (distance) C4'-P energy: -106.772 bonds (distance) P-C4' energy: -93.443 flat angles C4'-P-C4' energy: -124.738 flat angles P-C4'-P energy: -67.764 tors. eta vs tors. theta energy: -147.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1550.355536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.355536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.355536 (E_RNA) where: Base-Base interactions energy: -988.551 where: short stacking energy: -421.081 Base-Backbone interact. energy: 0.217 local terms energy: -562.021184 where: bonds (distance) C4'-P energy: -114.714 bonds (distance) P-C4' energy: -112.842 flat angles C4'-P-C4' energy: -126.847 flat angles P-C4'-P energy: -89.547 tors. eta vs tors. theta energy: -118.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1286.061635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.061635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.061635 (E_RNA) where: Base-Base interactions energy: -842.791 where: short stacking energy: -367.060 Base-Backbone interact. energy: -0.361 local terms energy: -442.909645 where: bonds (distance) C4'-P energy: -85.586 bonds (distance) P-C4' energy: -113.312 flat angles C4'-P-C4' energy: -101.234 flat angles P-C4'-P energy: -67.067 tors. eta vs tors. theta energy: -75.712 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: 8, replica: 6 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -916.021394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.021394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.021394 (E_RNA) where: Base-Base interactions energy: -532.312 where: short stacking energy: -258.714 Base-Backbone interact. energy: 0.925 local terms energy: -384.634453 where: bonds (distance) C4'-P energy: -102.267 bonds (distance) P-C4' energy: -95.411 flat angles C4'-P-C4' energy: -76.230 flat angles P-C4'-P energy: -66.897 tors. eta vs tors. theta energy: -43.829 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: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -534.197731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.197731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.197731 (E_RNA) where: Base-Base interactions energy: -232.380 where: short stacking energy: -164.960 Base-Backbone interact. energy: -3.397 local terms energy: -298.420527 where: bonds (distance) C4'-P energy: -73.345 bonds (distance) P-C4' energy: -111.925 flat angles C4'-P-C4' energy: -89.972 flat angles P-C4'-P energy: -46.607 tors. eta vs tors. theta energy: 23.428 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: 8 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -567.121919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.121919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.121919 (E_RNA) where: Base-Base interactions energy: -220.467 where: short stacking energy: -140.235 Base-Backbone interact. energy: 3.342 local terms energy: -349.997230 where: bonds (distance) C4'-P energy: -103.574 bonds (distance) P-C4' energy: -110.541 flat angles C4'-P-C4' energy: -86.804 flat angles P-C4'-P energy: -59.310 tors. eta vs tors. theta energy: 10.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2180.745617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.745617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.745617 (E_RNA) where: Base-Base interactions energy: -1513.812 where: short stacking energy: -612.854 Base-Backbone interact. energy: -1.663 local terms energy: -665.270599 where: bonds (distance) C4'-P energy: -117.924 bonds (distance) P-C4' energy: -122.295 flat angles C4'-P-C4' energy: -145.025 flat angles P-C4'-P energy: -94.919 tors. eta vs tors. theta energy: -185.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2059.641356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.641356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.641356 (E_RNA) where: Base-Base interactions energy: -1398.075 where: short stacking energy: -582.169 Base-Backbone interact. energy: -1.912 local terms energy: -659.655229 where: bonds (distance) C4'-P energy: -116.003 bonds (distance) P-C4' energy: -134.337 flat angles C4'-P-C4' energy: -129.112 flat angles P-C4'-P energy: -94.073 tors. eta vs tors. theta energy: -186.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1984.172973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.172973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.172973 (E_RNA) where: Base-Base interactions energy: -1363.207 where: short stacking energy: -593.217 Base-Backbone interact. energy: 2.457 local terms energy: -623.423205 where: bonds (distance) C4'-P energy: -115.141 bonds (distance) P-C4' energy: -106.098 flat angles C4'-P-C4' energy: -133.616 flat angles P-C4'-P energy: -86.962 tors. eta vs tors. theta energy: -181.606 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: 2 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1750.203341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.203341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.203341 (E_RNA) where: Base-Base interactions energy: -1171.458 where: short stacking energy: -495.686 Base-Backbone interact. energy: -2.046 local terms energy: -576.698639 where: bonds (distance) C4'-P energy: -127.289 bonds (distance) P-C4' energy: -116.385 flat angles C4'-P-C4' energy: -121.940 flat angles P-C4'-P energy: -67.052 tors. eta vs tors. theta energy: -144.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1692.791258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.791258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.791258 (E_RNA) where: Base-Base interactions energy: -1136.475 where: short stacking energy: -480.542 Base-Backbone interact. energy: -4.434 local terms energy: -551.882257 where: bonds (distance) C4'-P energy: -96.501 bonds (distance) P-C4' energy: -104.438 flat angles C4'-P-C4' energy: -132.921 flat angles P-C4'-P energy: -80.392 tors. eta vs tors. theta energy: -137.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1645.166869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.166869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.166869 (E_RNA) where: Base-Base interactions energy: -1104.505 where: short stacking energy: -477.834 Base-Backbone interact. energy: 0.682 local terms energy: -541.343857 where: bonds (distance) C4'-P energy: -117.307 bonds (distance) P-C4' energy: -98.921 flat angles C4'-P-C4' energy: -123.929 flat angles P-C4'-P energy: -80.893 tors. eta vs tors. theta energy: -120.294 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: 10 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1304.451744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.451744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.451744 (E_RNA) where: Base-Base interactions energy: -863.200 where: short stacking energy: -382.785 Base-Backbone interact. energy: 0.783 local terms energy: -442.034665 where: bonds (distance) C4'-P energy: -99.758 bonds (distance) P-C4' energy: -89.126 flat angles C4'-P-C4' energy: -103.417 flat angles P-C4'-P energy: -58.910 tors. eta vs tors. theta energy: -90.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -883.614986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.614986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.614986 (E_RNA) where: Base-Base interactions energy: -504.196 where: short stacking energy: -241.831 Base-Backbone interact. energy: 0.871 local terms energy: -380.289658 where: bonds (distance) C4'-P energy: -100.528 bonds (distance) P-C4' energy: -108.218 flat angles C4'-P-C4' energy: -92.362 flat angles P-C4'-P energy: -60.417 tors. eta vs tors. theta energy: -18.764 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: 9, replica: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -589.760135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.760135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.760135 (E_RNA) where: Base-Base interactions energy: -274.159 where: short stacking energy: -149.720 Base-Backbone interact. energy: 5.263 local terms energy: -320.864035 where: bonds (distance) C4'-P energy: -98.301 bonds (distance) P-C4' energy: -109.559 flat angles C4'-P-C4' energy: -99.798 flat angles P-C4'-P energy: -21.747 tors. eta vs tors. theta energy: 8.541 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: 8 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -542.076805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.076805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.076805 (E_RNA) where: Base-Base interactions energy: -207.151 where: short stacking energy: -126.677 Base-Backbone interact. energy: 2.128 local terms energy: -337.053192 where: bonds (distance) C4'-P energy: -109.249 bonds (distance) P-C4' energy: -112.014 flat angles C4'-P-C4' energy: -95.340 flat angles P-C4'-P energy: -49.530 tors. eta vs tors. theta energy: 29.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2153.733068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.733068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.733068 (E_RNA) where: Base-Base interactions energy: -1502.127 where: short stacking energy: -610.346 Base-Backbone interact. energy: 3.675 local terms energy: -655.280574 where: bonds (distance) C4'-P energy: -115.755 bonds (distance) P-C4' energy: -118.695 flat angles C4'-P-C4' energy: -139.028 flat angles P-C4'-P energy: -102.183 tors. eta vs tors. theta energy: -179.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2022.304050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.304050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.304050 (E_RNA) where: Base-Base interactions energy: -1376.137 where: short stacking energy: -558.400 Base-Backbone interact. energy: -1.847 local terms energy: -644.320088 where: bonds (distance) C4'-P energy: -131.624 bonds (distance) P-C4' energy: -129.973 flat angles C4'-P-C4' energy: -131.351 flat angles P-C4'-P energy: -77.355 tors. eta vs tors. theta energy: -174.016 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: 4 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1997.258070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.258070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.258070 (E_RNA) where: Base-Base interactions energy: -1362.279 where: short stacking energy: -554.787 Base-Backbone interact. energy: -4.153 local terms energy: -630.826419 where: bonds (distance) C4'-P energy: -119.106 bonds (distance) P-C4' energy: -122.112 flat angles C4'-P-C4' energy: -124.122 flat angles P-C4'-P energy: -84.249 tors. eta vs tors. theta energy: -181.238 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: 402 Temperature: 1.050000 Total energy: -1814.752569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.752569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.752569 (E_RNA) where: Base-Base interactions energy: -1201.033 where: short stacking energy: -504.211 Base-Backbone interact. energy: -1.529 local terms energy: -612.190202 where: bonds (distance) C4'-P energy: -107.187 bonds (distance) P-C4' energy: -116.037 flat angles C4'-P-C4' energy: -131.536 flat angles P-C4'-P energy: -94.054 tors. eta vs tors. theta energy: -163.377 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: 3 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1662.713347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.713347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.713347 (E_RNA) where: Base-Base interactions energy: -1107.107 where: short stacking energy: -482.075 Base-Backbone interact. energy: -2.370 local terms energy: -553.235763 where: bonds (distance) C4'-P energy: -106.546 bonds (distance) P-C4' energy: -118.460 flat angles C4'-P-C4' energy: -124.284 flat angles P-C4'-P energy: -75.728 tors. eta vs tors. theta energy: -128.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1646.773482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.773482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.773482 (E_RNA) where: Base-Base interactions energy: -1092.996 where: short stacking energy: -473.430 Base-Backbone interact. energy: -3.903 local terms energy: -549.873889 where: bonds (distance) C4'-P energy: -100.394 bonds (distance) P-C4' energy: -116.208 flat angles C4'-P-C4' energy: -121.712 flat angles P-C4'-P energy: -78.339 tors. eta vs tors. theta energy: -133.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1281.353508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.353508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.353508 (E_RNA) where: Base-Base interactions energy: -812.400 where: short stacking energy: -338.068 Base-Backbone interact. energy: -2.851 local terms energy: -466.102468 where: bonds (distance) C4'-P energy: -106.114 bonds (distance) P-C4' energy: -113.722 flat angles C4'-P-C4' energy: -103.207 flat angles P-C4'-P energy: -63.591 tors. eta vs tors. theta energy: -79.468 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: 402 Temperature: 1.250000 Total energy: -966.092248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.092248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.092248 (E_RNA) where: Base-Base interactions energy: -532.679 where: short stacking energy: -259.954 Base-Backbone interact. energy: -2.596 local terms energy: -430.817405 where: bonds (distance) C4'-P energy: -111.090 bonds (distance) P-C4' energy: -110.293 flat angles C4'-P-C4' energy: -90.551 flat angles P-C4'-P energy: -70.986 tors. eta vs tors. theta energy: -47.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -606.603379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.603379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.603379 (E_RNA) where: Base-Base interactions energy: -262.039 where: short stacking energy: -171.096 Base-Backbone interact. energy: 2.428 local terms energy: -346.991997 where: bonds (distance) C4'-P energy: -97.997 bonds (distance) P-C4' energy: -110.057 flat angles C4'-P-C4' energy: -87.091 flat angles P-C4'-P energy: -54.215 tors. eta vs tors. theta energy: 2.367 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: 8 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -565.152803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.152803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.152803 (E_RNA) where: Base-Base interactions energy: -259.053 where: short stacking energy: -161.697 Base-Backbone interact. energy: 1.924 local terms energy: -308.024087 where: bonds (distance) C4'-P energy: -97.426 bonds (distance) P-C4' energy: -99.387 flat angles C4'-P-C4' energy: -81.730 flat angles P-C4'-P energy: -39.134 tors. eta vs tors. theta energy: 9.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2180.509915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.509915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.509915 (E_RNA) where: Base-Base interactions energy: -1527.156 where: short stacking energy: -602.915 Base-Backbone interact. energy: -1.294 local terms energy: -652.059295 where: bonds (distance) C4'-P energy: -117.337 bonds (distance) P-C4' energy: -126.659 flat angles C4'-P-C4' energy: -133.041 flat angles P-C4'-P energy: -90.120 tors. eta vs tors. theta energy: -184.903 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: 7 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2056.750702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.750702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.750702 (E_RNA) where: Base-Base interactions energy: -1394.611 where: short stacking energy: -569.535 Base-Backbone interact. energy: -1.891 local terms energy: -660.248819 where: bonds (distance) C4'-P energy: -127.662 bonds (distance) P-C4' energy: -123.247 flat angles C4'-P-C4' energy: -141.208 flat angles P-C4'-P energy: -90.581 tors. eta vs tors. theta energy: -177.550 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: 3, replica: 4 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2001.698574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.698574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.698574 (E_RNA) where: Base-Base interactions energy: -1371.486 where: short stacking energy: -583.181 Base-Backbone interact. energy: -2.591 local terms energy: -627.620874 where: bonds (distance) C4'-P energy: -113.752 bonds (distance) P-C4' energy: -111.340 flat angles C4'-P-C4' energy: -136.102 flat angles P-C4'-P energy: -79.787 tors. eta vs tors. theta energy: -186.641 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: 4, replica: 2 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1793.577372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.577372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.577372 (E_RNA) where: Base-Base interactions energy: -1194.817 where: short stacking energy: -508.186 Base-Backbone interact. energy: -0.743 local terms energy: -598.017198 where: bonds (distance) C4'-P energy: -117.305 bonds (distance) P-C4' energy: -108.772 flat angles C4'-P-C4' energy: -123.168 flat angles P-C4'-P energy: -92.046 tors. eta vs tors. theta energy: -156.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1684.901802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.901802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.901802 (E_RNA) where: Base-Base interactions energy: -1129.259 where: short stacking energy: -483.596 Base-Backbone interact. energy: 2.501 local terms energy: -558.144019 where: bonds (distance) C4'-P energy: -110.882 bonds (distance) P-C4' energy: -106.419 flat angles C4'-P-C4' energy: -128.802 flat angles P-C4'-P energy: -64.602 tors. eta vs tors. theta energy: -147.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1663.583726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.583726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.583726 (E_RNA) where: Base-Base interactions energy: -1125.025 where: short stacking energy: -484.008 Base-Backbone interact. energy: -1.084 local terms energy: -537.474493 where: bonds (distance) C4'-P energy: -86.980 bonds (distance) P-C4' energy: -122.719 flat angles C4'-P-C4' energy: -112.151 flat angles P-C4'-P energy: -64.581 tors. eta vs tors. theta energy: -151.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1295.628493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.628493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.628493 (E_RNA) where: Base-Base interactions energy: -859.557 where: short stacking energy: -371.801 Base-Backbone interact. energy: -1.119 local terms energy: -434.952744 where: bonds (distance) C4'-P energy: -99.167 bonds (distance) P-C4' energy: -87.809 flat angles C4'-P-C4' energy: -115.187 flat angles P-C4'-P energy: -49.277 tors. eta vs tors. theta energy: -83.513 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: 6 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -930.281644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.281644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.281644 (E_RNA) where: Base-Base interactions energy: -554.156 where: short stacking energy: -265.956 Base-Backbone interact. energy: -1.672 local terms energy: -374.452984 where: bonds (distance) C4'-P energy: -89.386 bonds (distance) P-C4' energy: -115.313 flat angles C4'-P-C4' energy: -67.077 flat angles P-C4'-P energy: -62.654 tors. eta vs tors. theta energy: -40.023 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: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -620.688920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.688920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.688920 (E_RNA) where: Base-Base interactions energy: -270.148 where: short stacking energy: -187.598 Base-Backbone interact. energy: -1.892 local terms energy: -348.649183 where: bonds (distance) C4'-P energy: -89.261 bonds (distance) P-C4' energy: -104.169 flat angles C4'-P-C4' energy: -92.749 flat angles P-C4'-P energy: -65.924 tors. eta vs tors. theta energy: 3.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -568.975260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.975260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.975260 (E_RNA) where: Base-Base interactions energy: -238.460 where: short stacking energy: -161.222 Base-Backbone interact. energy: 2.283 local terms energy: -332.797439 where: bonds (distance) C4'-P energy: -109.677 bonds (distance) P-C4' energy: -117.123 flat angles C4'-P-C4' energy: -85.759 flat angles P-C4'-P energy: -44.900 tors. eta vs tors. theta energy: 24.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2182.895047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.895047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.895047 (E_RNA) where: Base-Base interactions energy: -1540.213 where: short stacking energy: -582.294 Base-Backbone interact. energy: -5.725 local terms energy: -636.957784 where: bonds (distance) C4'-P energy: -113.934 bonds (distance) P-C4' energy: -122.166 flat angles C4'-P-C4' energy: -140.406 flat angles P-C4'-P energy: -94.166 tors. eta vs tors. theta energy: -166.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2040.498652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.498652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.498652 (E_RNA) where: Base-Base interactions energy: -1395.857 where: short stacking energy: -592.963 Base-Backbone interact. energy: -0.348 local terms energy: -644.293000 where: bonds (distance) C4'-P energy: -121.441 bonds (distance) P-C4' energy: -115.440 flat angles C4'-P-C4' energy: -137.976 flat angles P-C4'-P energy: -91.902 tors. eta vs tors. theta energy: -177.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1986.531885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.531885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.531885 (E_RNA) where: Base-Base interactions energy: -1382.714 where: short stacking energy: -554.348 Base-Backbone interact. energy: -1.337 local terms energy: -602.481423 where: bonds (distance) C4'-P energy: -101.518 bonds (distance) P-C4' energy: -110.606 flat angles C4'-P-C4' energy: -127.559 flat angles P-C4'-P energy: -82.759 tors. eta vs tors. theta energy: -180.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1746.736802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.736802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.736802 (E_RNA) where: Base-Base interactions energy: -1169.549 where: short stacking energy: -503.669 Base-Backbone interact. energy: -1.739 local terms energy: -575.449030 where: bonds (distance) C4'-P energy: -121.389 bonds (distance) P-C4' energy: -114.079 flat angles C4'-P-C4' energy: -115.848 flat angles P-C4'-P energy: -69.436 tors. eta vs tors. theta energy: -154.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1731.227398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.227398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.227398 (E_RNA) where: Base-Base interactions energy: -1165.800 where: short stacking energy: -490.080 Base-Backbone interact. energy: -2.310 local terms energy: -563.117281 where: bonds (distance) C4'-P energy: -105.134 bonds (distance) P-C4' energy: -109.219 flat angles C4'-P-C4' energy: -125.328 flat angles P-C4'-P energy: -76.219 tors. eta vs tors. theta energy: -147.216 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: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1628.127111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.127111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.127111 (E_RNA) where: Base-Base interactions energy: -1091.032 where: short stacking energy: -478.315 Base-Backbone interact. energy: -2.506 local terms energy: -534.588238 where: bonds (distance) C4'-P energy: -98.975 bonds (distance) P-C4' energy: -103.886 flat angles C4'-P-C4' energy: -116.953 flat angles P-C4'-P energy: -64.828 tors. eta vs tors. theta energy: -149.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1316.676080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.676080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.676080 (E_RNA) where: Base-Base interactions energy: -863.163 where: short stacking energy: -360.635 Base-Backbone interact. energy: -3.115 local terms energy: -450.397655 where: bonds (distance) C4'-P energy: -94.618 bonds (distance) P-C4' energy: -97.687 flat angles C4'-P-C4' energy: -97.316 flat angles P-C4'-P energy: -70.296 tors. eta vs tors. theta energy: -90.481 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: 404 Temperature: 1.250000 Total energy: -923.287886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.287886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.287886 (E_RNA) where: Base-Base interactions energy: -506.440 where: short stacking energy: -239.737 Base-Backbone interact. energy: -2.252 local terms energy: -414.596023 where: bonds (distance) C4'-P energy: -113.639 bonds (distance) P-C4' energy: -107.615 flat angles C4'-P-C4' energy: -87.064 flat angles P-C4'-P energy: -67.675 tors. eta vs tors. theta energy: -38.602 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: 9, replica: 8 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -607.548917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.548917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.548917 (E_RNA) where: Base-Base interactions energy: -269.012 where: short stacking energy: -182.641 Base-Backbone interact. energy: -0.264 local terms energy: -338.272897 where: bonds (distance) C4'-P energy: -101.744 bonds (distance) P-C4' energy: -97.166 flat angles C4'-P-C4' energy: -83.535 flat angles P-C4'-P energy: -53.276 tors. eta vs tors. theta energy: -2.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -483.225406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.225406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.225406 (E_RNA) where: Base-Base interactions energy: -180.947 where: short stacking energy: -128.811 Base-Backbone interact. energy: -0.906 local terms energy: -301.373104 where: bonds (distance) C4'-P energy: -96.889 bonds (distance) P-C4' energy: -86.959 flat angles C4'-P-C4' energy: -74.203 flat angles P-C4'-P energy: -47.305 tors. eta vs tors. theta energy: 3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2198.586750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.586750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.586750 (E_RNA) where: Base-Base interactions energy: -1518.524 where: short stacking energy: -609.651 Base-Backbone interact. energy: -4.775 local terms energy: -675.287050 where: bonds (distance) C4'-P energy: -108.516 bonds (distance) P-C4' energy: -128.193 flat angles C4'-P-C4' energy: -147.712 flat angles P-C4'-P energy: -105.382 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: 2, replica: 4 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2041.427317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.427317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.427317 (E_RNA) where: Base-Base interactions energy: -1409.338 where: short stacking energy: -565.760 Base-Backbone interact. energy: -1.933 local terms energy: -630.156684 where: bonds (distance) C4'-P energy: -121.223 bonds (distance) P-C4' energy: -109.099 flat angles C4'-P-C4' energy: -136.515 flat angles P-C4'-P energy: -89.758 tors. eta vs tors. theta energy: -173.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1945.471357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.471357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.471357 (E_RNA) where: Base-Base interactions energy: -1333.392 where: short stacking energy: -566.939 Base-Backbone interact. energy: -1.877 local terms energy: -610.203294 where: bonds (distance) C4'-P energy: -106.476 bonds (distance) P-C4' energy: -113.827 flat angles C4'-P-C4' energy: -126.701 flat angles P-C4'-P energy: -82.563 tors. eta vs tors. theta energy: -180.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1819.760510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.760510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.760510 (E_RNA) where: Base-Base interactions energy: -1225.178 where: short stacking energy: -542.517 Base-Backbone interact. energy: 2.164 local terms energy: -596.746325 where: bonds (distance) C4'-P energy: -105.845 bonds (distance) P-C4' energy: -118.654 flat angles C4'-P-C4' energy: -132.425 flat angles P-C4'-P energy: -68.809 tors. eta vs tors. theta energy: -171.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1702.738768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.738768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.738768 (E_RNA) where: Base-Base interactions energy: -1184.837 where: short stacking energy: -479.095 Base-Backbone interact. energy: 0.259 local terms energy: -518.161053 where: bonds (distance) C4'-P energy: -92.838 bonds (distance) P-C4' energy: -99.233 flat angles C4'-P-C4' energy: -123.474 flat angles P-C4'-P energy: -67.372 tors. eta vs tors. theta energy: -135.244 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: 5 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1626.496858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.496858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.496858 (E_RNA) where: Base-Base interactions energy: -1090.361 where: short stacking energy: -472.381 Base-Backbone interact. energy: -0.936 local terms energy: -535.199551 where: bonds (distance) C4'-P energy: -98.914 bonds (distance) P-C4' energy: -98.774 flat angles C4'-P-C4' energy: -116.126 flat angles P-C4'-P energy: -82.611 tors. eta vs tors. theta energy: -138.774 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: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1347.751894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.751894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.751894 (E_RNA) where: Base-Base interactions energy: -863.404 where: short stacking energy: -378.322 Base-Backbone interact. energy: -0.039 local terms energy: -484.308855 where: bonds (distance) C4'-P energy: -99.196 bonds (distance) P-C4' energy: -95.124 flat angles C4'-P-C4' energy: -121.368 flat angles P-C4'-P energy: -70.448 tors. eta vs tors. theta energy: -98.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -899.284267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.284267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.284267 (E_RNA) where: Base-Base interactions energy: -543.761 where: short stacking energy: -240.482 Base-Backbone interact. energy: -2.302 local terms energy: -353.221290 where: bonds (distance) C4'-P energy: -91.807 bonds (distance) P-C4' energy: -93.605 flat angles C4'-P-C4' energy: -106.506 flat angles P-C4'-P energy: -45.063 tors. eta vs tors. theta energy: -16.240 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: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -633.203282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.203282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.203282 (E_RNA) where: Base-Base interactions energy: -292.673 where: short stacking energy: -207.031 Base-Backbone interact. energy: -0.418 local terms energy: -340.111986 where: bonds (distance) C4'-P energy: -94.567 bonds (distance) P-C4' energy: -105.205 flat angles C4'-P-C4' energy: -83.865 flat angles P-C4'-P energy: -46.074 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: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -503.785972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.785972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.785972 (E_RNA) where: Base-Base interactions energy: -191.808 where: short stacking energy: -120.097 Base-Backbone interact. energy: 1.703 local terms energy: -313.681203 where: bonds (distance) C4'-P energy: -92.536 bonds (distance) P-C4' energy: -109.724 flat angles C4'-P-C4' energy: -88.840 flat angles P-C4'-P energy: -46.542 tors. eta vs tors. theta energy: 23.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2177.821773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.821773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.821773 (E_RNA) where: Base-Base interactions energy: -1509.570 where: short stacking energy: -599.338 Base-Backbone interact. energy: 0.345 local terms energy: -668.596508 where: bonds (distance) C4'-P energy: -106.924 bonds (distance) P-C4' energy: -125.229 flat angles C4'-P-C4' energy: -144.240 flat angles P-C4'-P energy: -106.626 tors. eta vs tors. theta energy: -185.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2047.358084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.358084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.358084 (E_RNA) where: Base-Base interactions energy: -1403.772 where: short stacking energy: -596.217 Base-Backbone interact. energy: -2.427 local terms energy: -641.159629 where: bonds (distance) C4'-P energy: -106.470 bonds (distance) P-C4' energy: -126.435 flat angles C4'-P-C4' energy: -135.246 flat angles P-C4'-P energy: -86.199 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: 3, replica: 7 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1992.536041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.536041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.536041 (E_RNA) where: Base-Base interactions energy: -1361.180 where: short stacking energy: -587.142 Base-Backbone interact. energy: -2.721 local terms energy: -628.635614 where: bonds (distance) C4'-P energy: -118.150 bonds (distance) P-C4' energy: -116.293 flat angles C4'-P-C4' energy: -134.102 flat angles P-C4'-P energy: -83.551 tors. eta vs tors. theta energy: -176.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1813.884524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.884524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.884524 (E_RNA) where: Base-Base interactions energy: -1237.097 where: short stacking energy: -517.445 Base-Backbone interact. energy: -0.789 local terms energy: -575.997981 where: bonds (distance) C4'-P energy: -124.766 bonds (distance) P-C4' energy: -115.630 flat angles C4'-P-C4' energy: -116.913 flat angles P-C4'-P energy: -63.683 tors. eta vs tors. theta energy: -155.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1733.694652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.694652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.694652 (E_RNA) where: Base-Base interactions energy: -1144.790 where: short stacking energy: -472.427 Base-Backbone interact. energy: -1.512 local terms energy: -587.393000 where: bonds (distance) C4'-P energy: -105.650 bonds (distance) P-C4' energy: -125.695 flat angles C4'-P-C4' energy: -125.097 flat angles P-C4'-P energy: -93.891 tors. eta vs tors. theta energy: -137.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1618.668353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.668353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.668353 (E_RNA) where: Base-Base interactions energy: -1084.849 where: short stacking energy: -433.323 Base-Backbone interact. energy: 1.762 local terms energy: -535.581385 where: bonds (distance) C4'-P energy: -93.710 bonds (distance) P-C4' energy: -122.539 flat angles C4'-P-C4' energy: -118.444 flat angles P-C4'-P energy: -77.455 tors. eta vs tors. theta energy: -123.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1363.935548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.935548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.935548 (E_RNA) where: Base-Base interactions energy: -901.921 where: short stacking energy: -391.901 Base-Backbone interact. energy: 4.526 local terms energy: -466.541316 where: bonds (distance) C4'-P energy: -90.560 bonds (distance) P-C4' energy: -97.170 flat angles C4'-P-C4' energy: -115.003 flat angles P-C4'-P energy: -74.719 tors. eta vs tors. theta energy: -89.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -974.594956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.594956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.594956 (E_RNA) where: Base-Base interactions energy: -580.550 where: short stacking energy: -269.885 Base-Backbone interact. energy: -2.668 local terms energy: -391.377337 where: bonds (distance) C4'-P energy: -93.691 bonds (distance) P-C4' energy: -92.270 flat angles C4'-P-C4' energy: -98.145 flat angles P-C4'-P energy: -63.374 tors. eta vs tors. theta energy: -43.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -565.673316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.673316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.673316 (E_RNA) where: Base-Base interactions energy: -255.358 where: short stacking energy: -154.194 Base-Backbone interact. energy: 1.972 local terms energy: -312.287441 where: bonds (distance) C4'-P energy: -100.098 bonds (distance) P-C4' energy: -92.384 flat angles C4'-P-C4' energy: -79.978 flat angles P-C4'-P energy: -65.083 tors. eta vs tors. theta energy: 25.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -468.324578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.324578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.324578 (E_RNA) where: Base-Base interactions energy: -163.654 where: short stacking energy: -126.252 Base-Backbone interact. energy: 4.521 local terms energy: -309.191712 where: bonds (distance) C4'-P energy: -87.147 bonds (distance) P-C4' energy: -103.937 flat angles C4'-P-C4' energy: -117.494 flat angles P-C4'-P energy: -25.842 tors. eta vs tors. theta energy: 25.228 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: 1 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2182.542649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.542649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.542649 (E_RNA) where: Base-Base interactions energy: -1555.139 where: short stacking energy: -612.206 Base-Backbone interact. energy: -3.581 local terms energy: -623.822673 where: bonds (distance) C4'-P energy: -102.760 bonds (distance) P-C4' energy: -120.698 flat angles C4'-P-C4' energy: -137.897 flat angles P-C4'-P energy: -92.316 tors. eta vs tors. theta energy: -170.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2027.489642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.489642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.489642 (E_RNA) where: Base-Base interactions energy: -1384.061 where: short stacking energy: -603.101 Base-Backbone interact. energy: -1.831 local terms energy: -641.597881 where: bonds (distance) C4'-P energy: -107.070 bonds (distance) P-C4' energy: -119.012 flat angles C4'-P-C4' energy: -136.399 flat angles P-C4'-P energy: -100.276 tors. eta vs tors. theta energy: -178.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2022.415605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.415605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.415605 (E_RNA) where: Base-Base interactions energy: -1396.633 where: short stacking energy: -591.027 Base-Backbone interact. energy: -1.022 local terms energy: -624.760749 where: bonds (distance) C4'-P energy: -122.189 bonds (distance) P-C4' energy: -107.126 flat angles C4'-P-C4' energy: -120.269 flat angles P-C4'-P energy: -89.868 tors. eta vs tors. theta energy: -185.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1877.943910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.943910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.943910 (E_RNA) where: Base-Base interactions energy: -1283.948 where: short stacking energy: -572.446 Base-Backbone interact. energy: -1.605 local terms energy: -592.390850 where: bonds (distance) C4'-P energy: -102.615 bonds (distance) P-C4' energy: -104.080 flat angles C4'-P-C4' energy: -128.955 flat angles P-C4'-P energy: -82.445 tors. eta vs tors. theta energy: -174.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1707.027962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.027962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.027962 (E_RNA) where: Base-Base interactions energy: -1139.411 where: short stacking energy: -486.081 Base-Backbone interact. energy: -2.524 local terms energy: -565.092929 where: bonds (distance) C4'-P energy: -112.277 bonds (distance) P-C4' energy: -114.968 flat angles C4'-P-C4' energy: -126.144 flat angles P-C4'-P energy: -71.093 tors. eta vs tors. theta energy: -140.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1651.353635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.353635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.353635 (E_RNA) where: Base-Base interactions energy: -1103.020 where: short stacking energy: -495.262 Base-Backbone interact. energy: -3.312 local terms energy: -545.022222 where: bonds (distance) C4'-P energy: -102.013 bonds (distance) P-C4' energy: -114.427 flat angles C4'-P-C4' energy: -119.211 flat angles P-C4'-P energy: -66.445 tors. eta vs tors. theta energy: -142.927 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: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1312.343426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.343426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.343426 (E_RNA) where: Base-Base interactions energy: -842.776 where: short stacking energy: -358.437 Base-Backbone interact. energy: -1.374 local terms energy: -468.194059 where: bonds (distance) C4'-P energy: -98.884 bonds (distance) P-C4' energy: -109.152 flat angles C4'-P-C4' energy: -118.537 flat angles P-C4'-P energy: -65.042 tors. eta vs tors. theta energy: -76.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -931.194908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.194908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.194908 (E_RNA) where: Base-Base interactions energy: -556.061 where: short stacking energy: -270.176 Base-Backbone interact. energy: -1.484 local terms energy: -373.650467 where: bonds (distance) C4'-P energy: -94.185 bonds (distance) P-C4' energy: -98.999 flat angles C4'-P-C4' energy: -83.681 flat angles P-C4'-P energy: -69.114 tors. eta vs tors. theta energy: -27.672 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: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -643.859683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.859683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.859683 (E_RNA) where: Base-Base interactions energy: -313.259 where: short stacking energy: -174.080 Base-Backbone interact. energy: 3.122 local terms energy: -333.722624 where: bonds (distance) C4'-P energy: -100.162 bonds (distance) P-C4' energy: -105.150 flat angles C4'-P-C4' energy: -76.260 flat angles P-C4'-P energy: -55.931 tors. eta vs tors. theta energy: 3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -535.402076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.402076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.402076 (E_RNA) where: Base-Base interactions energy: -221.964 where: short stacking energy: -132.211 Base-Backbone interact. energy: -0.890 local terms energy: -312.548438 where: bonds (distance) C4'-P energy: -109.633 bonds (distance) P-C4' energy: -91.353 flat angles C4'-P-C4' energy: -92.886 flat angles P-C4'-P energy: -43.178 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: 1, replica: 1 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2140.459942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.459942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.459942 (E_RNA) where: Base-Base interactions energy: -1510.012 where: short stacking energy: -614.296 Base-Backbone interact. energy: -1.029 local terms energy: -629.418864 where: bonds (distance) C4'-P energy: -119.467 bonds (distance) P-C4' energy: -104.515 flat angles C4'-P-C4' energy: -132.622 flat angles P-C4'-P energy: -96.480 tors. eta vs tors. theta energy: -176.336 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: 2, replica: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2015.562349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.562349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.562349 (E_RNA) where: Base-Base interactions energy: -1369.452 where: short stacking energy: -586.185 Base-Backbone interact. energy: -0.460 local terms energy: -645.650398 where: bonds (distance) C4'-P energy: -112.549 bonds (distance) P-C4' energy: -124.449 flat angles C4'-P-C4' energy: -131.623 flat angles P-C4'-P energy: -95.036 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: 3, replica: 4 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2022.025149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.025149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.025149 (E_RNA) where: Base-Base interactions energy: -1378.893 where: short stacking energy: -575.208 Base-Backbone interact. energy: -3.045 local terms energy: -640.087311 where: bonds (distance) C4'-P energy: -117.441 bonds (distance) P-C4' energy: -108.737 flat angles C4'-P-C4' energy: -135.361 flat angles P-C4'-P energy: -91.214 tors. eta vs tors. theta energy: -187.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1854.435189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.435189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.435189 (E_RNA) where: Base-Base interactions energy: -1258.255 where: short stacking energy: -562.716 Base-Backbone interact. energy: -2.217 local terms energy: -593.963804 where: bonds (distance) C4'-P energy: -103.683 bonds (distance) P-C4' energy: -102.941 flat angles C4'-P-C4' energy: -126.314 flat angles P-C4'-P energy: -83.054 tors. eta vs tors. theta energy: -177.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1708.337380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.337380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.337380 (E_RNA) where: Base-Base interactions energy: -1138.666 where: short stacking energy: -477.435 Base-Backbone interact. energy: -2.635 local terms energy: -567.035758 where: bonds (distance) C4'-P energy: -111.180 bonds (distance) P-C4' energy: -108.684 flat angles C4'-P-C4' energy: -123.642 flat angles P-C4'-P energy: -78.131 tors. eta vs tors. theta energy: -145.398 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: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1587.266091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.266091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.266091 (E_RNA) where: Base-Base interactions energy: -1044.678 where: short stacking energy: -438.732 Base-Backbone interact. energy: -3.025 local terms energy: -539.563589 where: bonds (distance) C4'-P energy: -112.820 bonds (distance) P-C4' energy: -111.329 flat angles C4'-P-C4' energy: -113.523 flat angles P-C4'-P energy: -70.832 tors. eta vs tors. theta energy: -131.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1365.774207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.774207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.774207 (E_RNA) where: Base-Base interactions energy: -903.634 where: short stacking energy: -391.625 Base-Backbone interact. energy: -3.454 local terms energy: -458.685912 where: bonds (distance) C4'-P energy: -107.671 bonds (distance) P-C4' energy: -106.404 flat angles C4'-P-C4' energy: -93.279 flat angles P-C4'-P energy: -64.986 tors. eta vs tors. theta energy: -86.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -979.865561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.865561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.865561 (E_RNA) where: Base-Base interactions energy: -552.288 where: short stacking energy: -274.108 Base-Backbone interact. energy: -0.743 local terms energy: -426.834393 where: bonds (distance) C4'-P energy: -99.978 bonds (distance) P-C4' energy: -123.709 flat angles C4'-P-C4' energy: -95.647 flat angles P-C4'-P energy: -55.685 tors. eta vs tors. theta energy: -51.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -665.404212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.404212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.404212 (E_RNA) where: Base-Base interactions energy: -300.802 where: short stacking energy: -187.911 Base-Backbone interact. energy: -3.123 local terms energy: -361.479749 where: bonds (distance) C4'-P energy: -85.621 bonds (distance) P-C4' energy: -104.788 flat angles C4'-P-C4' energy: -93.757 flat angles P-C4'-P energy: -75.755 tors. eta vs tors. theta energy: -1.559 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: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -528.894879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.894879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.894879 (E_RNA) where: Base-Base interactions energy: -184.877 where: short stacking energy: -125.304 Base-Backbone interact. energy: 1.052 local terms energy: -345.069580 where: bonds (distance) C4'-P energy: -94.959 bonds (distance) P-C4' energy: -120.039 flat angles C4'-P-C4' energy: -104.750 flat angles P-C4'-P energy: -51.018 tors. eta vs tors. theta energy: 25.697 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: 1 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2171.371931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.371931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.371931 (E_RNA) where: Base-Base interactions energy: -1496.773 where: short stacking energy: -600.669 Base-Backbone interact. energy: -4.175 local terms energy: -670.424440 where: bonds (distance) C4'-P energy: -116.069 bonds (distance) P-C4' energy: -127.501 flat angles C4'-P-C4' energy: -140.933 flat angles P-C4'-P energy: -100.638 tors. eta vs tors. theta energy: -185.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2021.303988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.303988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.303988 (E_RNA) where: Base-Base interactions energy: -1401.109 where: short stacking energy: -550.565 Base-Backbone interact. energy: -1.179 local terms energy: -619.015711 where: bonds (distance) C4'-P energy: -128.822 bonds (distance) P-C4' energy: -115.527 flat angles C4'-P-C4' energy: -131.756 flat angles P-C4'-P energy: -83.540 tors. eta vs tors. theta energy: -159.370 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: 3, replica: 4 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2024.398970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.398970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.398970 (E_RNA) where: Base-Base interactions energy: -1398.971 where: short stacking energy: -593.023 Base-Backbone interact. energy: -0.674 local terms energy: -624.753896 where: bonds (distance) C4'-P energy: -118.556 bonds (distance) P-C4' energy: -103.117 flat angles C4'-P-C4' energy: -136.927 flat angles P-C4'-P energy: -76.533 tors. eta vs tors. theta energy: -189.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1838.713672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.713672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.713672 (E_RNA) where: Base-Base interactions energy: -1210.795 where: short stacking energy: -529.633 Base-Backbone interact. energy: -0.481 local terms energy: -627.437148 where: bonds (distance) C4'-P energy: -124.143 bonds (distance) P-C4' energy: -120.127 flat angles C4'-P-C4' energy: -123.569 flat angles P-C4'-P energy: -91.120 tors. eta vs tors. theta energy: -168.478 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: 5, replica: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1688.509120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.509120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.509120 (E_RNA) where: Base-Base interactions energy: -1136.653 where: short stacking energy: -487.079 Base-Backbone interact. energy: -0.169 local terms energy: -551.686587 where: bonds (distance) C4'-P energy: -106.918 bonds (distance) P-C4' energy: -126.361 flat angles C4'-P-C4' energy: -113.695 flat angles P-C4'-P energy: -64.074 tors. eta vs tors. theta energy: -140.638 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: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1529.357941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.357941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.357941 (E_RNA) where: Base-Base interactions energy: -1025.652 where: short stacking energy: -415.934 Base-Backbone interact. energy: -2.891 local terms energy: -500.815220 where: bonds (distance) C4'-P energy: -107.247 bonds (distance) P-C4' energy: -113.550 flat angles C4'-P-C4' energy: -102.542 flat angles P-C4'-P energy: -69.087 tors. eta vs tors. theta energy: -108.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1365.791797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.791797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.791797 (E_RNA) where: Base-Base interactions energy: -871.971 where: short stacking energy: -363.232 Base-Backbone interact. energy: 2.411 local terms energy: -496.231942 where: bonds (distance) C4'-P energy: -110.457 bonds (distance) P-C4' energy: -117.075 flat angles C4'-P-C4' energy: -91.641 flat angles P-C4'-P energy: -81.476 tors. eta vs tors. theta energy: -95.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -955.642822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.642822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.642822 (E_RNA) where: Base-Base interactions energy: -569.300 where: short stacking energy: -270.358 Base-Backbone interact. energy: 5.500 local terms energy: -391.843199 where: bonds (distance) C4'-P energy: -99.311 bonds (distance) P-C4' energy: -100.390 flat angles C4'-P-C4' energy: -92.450 flat angles P-C4'-P energy: -64.131 tors. eta vs tors. theta energy: -35.560 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: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -598.904538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.904538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.904538 (E_RNA) where: Base-Base interactions energy: -242.013 where: short stacking energy: -183.996 Base-Backbone interact. energy: 1.864 local terms energy: -358.756010 where: bonds (distance) C4'-P energy: -90.922 bonds (distance) P-C4' energy: -115.308 flat angles C4'-P-C4' energy: -97.270 flat angles P-C4'-P energy: -45.586 tors. eta vs tors. theta energy: -9.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -547.264248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.264248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.264248 (E_RNA) where: Base-Base interactions energy: -251.226 where: short stacking energy: -152.908 Base-Backbone interact. energy: -0.972 local terms energy: -295.065822 where: bonds (distance) C4'-P energy: -82.721 bonds (distance) P-C4' energy: -88.606 flat angles C4'-P-C4' energy: -84.916 flat angles P-C4'-P energy: -55.987 tors. eta vs tors. theta energy: 17.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2151.669451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.669451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.669451 (E_RNA) where: Base-Base interactions energy: -1499.541 where: short stacking energy: -575.457 Base-Backbone interact. energy: -4.153 local terms energy: -647.974701 where: bonds (distance) C4'-P energy: -112.403 bonds (distance) P-C4' energy: -126.887 flat angles C4'-P-C4' energy: -143.152 flat angles P-C4'-P energy: -89.463 tors. eta vs tors. theta energy: -176.070 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: 7 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2018.263539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.263539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.263539 (E_RNA) where: Base-Base interactions energy: -1392.426 where: short stacking energy: -557.740 Base-Backbone interact. energy: -2.793 local terms energy: -623.044682 where: bonds (distance) C4'-P energy: -123.162 bonds (distance) P-C4' energy: -113.786 flat angles C4'-P-C4' energy: -129.534 flat angles P-C4'-P energy: -96.007 tors. eta vs tors. theta energy: -160.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2027.807544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.807544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.807544 (E_RNA) where: Base-Base interactions energy: -1391.755 where: short stacking energy: -598.403 Base-Backbone interact. energy: 0.961 local terms energy: -637.013735 where: bonds (distance) C4'-P energy: -118.525 bonds (distance) P-C4' energy: -103.991 flat angles C4'-P-C4' energy: -148.771 flat angles P-C4'-P energy: -85.725 tors. eta vs tors. theta energy: -180.001 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: 2 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1813.728677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.728677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.728677 (E_RNA) where: Base-Base interactions energy: -1205.388 where: short stacking energy: -528.441 Base-Backbone interact. energy: -0.674 local terms energy: -607.666420 where: bonds (distance) C4'-P energy: -114.735 bonds (distance) P-C4' energy: -113.649 flat angles C4'-P-C4' energy: -133.092 flat angles P-C4'-P energy: -81.833 tors. eta vs tors. theta energy: -164.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1675.323713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.323713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.323713 (E_RNA) where: Base-Base interactions energy: -1132.555 where: short stacking energy: -484.004 Base-Backbone interact. energy: -2.798 local terms energy: -539.970058 where: bonds (distance) C4'-P energy: -101.377 bonds (distance) P-C4' energy: -98.566 flat angles C4'-P-C4' energy: -119.676 flat angles P-C4'-P energy: -87.536 tors. eta vs tors. theta energy: -132.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1550.285608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.285608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.285608 (E_RNA) where: Base-Base interactions energy: -1020.076 where: short stacking energy: -453.682 Base-Backbone interact. energy: 2.842 local terms energy: -533.051721 where: bonds (distance) C4'-P energy: -110.135 bonds (distance) P-C4' energy: -116.505 flat angles C4'-P-C4' energy: -121.037 flat angles P-C4'-P energy: -55.135 tors. eta vs tors. theta energy: -130.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1384.906796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.906796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.906796 (E_RNA) where: Base-Base interactions energy: -888.429 where: short stacking energy: -374.775 Base-Backbone interact. energy: 2.945 local terms energy: -499.422426 where: bonds (distance) C4'-P energy: -109.908 bonds (distance) P-C4' energy: -111.871 flat angles C4'-P-C4' energy: -116.190 flat angles P-C4'-P energy: -63.555 tors. eta vs tors. theta energy: -97.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -941.477283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.477283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.477283 (E_RNA) where: Base-Base interactions energy: -555.104 where: short stacking energy: -260.171 Base-Backbone interact. energy: -2.085 local terms energy: -384.287819 where: bonds (distance) C4'-P energy: -100.217 bonds (distance) P-C4' energy: -84.783 flat angles C4'-P-C4' energy: -103.215 flat angles P-C4'-P energy: -58.085 tors. eta vs tors. theta energy: -37.987 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: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -615.889844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.889844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.889844 (E_RNA) where: Base-Base interactions energy: -266.455 where: short stacking energy: -175.306 Base-Backbone interact. energy: -2.202 local terms energy: -347.232664 where: bonds (distance) C4'-P energy: -99.317 bonds (distance) P-C4' energy: -118.746 flat angles C4'-P-C4' energy: -73.927 flat angles P-C4'-P energy: -59.496 tors. eta vs tors. theta energy: 4.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -525.934205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.934205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.934205 (E_RNA) where: Base-Base interactions energy: -219.217 where: short stacking energy: -145.723 Base-Backbone interact. energy: 0.678 local terms energy: -307.395909 where: bonds (distance) C4'-P energy: -81.814 bonds (distance) P-C4' energy: -106.311 flat angles C4'-P-C4' energy: -95.961 flat angles P-C4'-P energy: -50.734 tors. eta vs tors. theta energy: 27.424 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: 1 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2143.313748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.313748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.313748 (E_RNA) where: Base-Base interactions energy: -1477.203 where: short stacking energy: -614.149 Base-Backbone interact. energy: -3.538 local terms energy: -662.573353 where: bonds (distance) C4'-P energy: -130.020 bonds (distance) P-C4' energy: -127.099 flat angles C4'-P-C4' energy: -141.324 flat angles P-C4'-P energy: -78.284 tors. eta vs tors. theta energy: -185.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2017.962633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.962633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.962633 (E_RNA) where: Base-Base interactions energy: -1387.340 where: short stacking energy: -580.274 Base-Backbone interact. energy: -1.981 local terms energy: -628.641964 where: bonds (distance) C4'-P energy: -102.352 bonds (distance) P-C4' energy: -124.840 flat angles C4'-P-C4' energy: -138.044 flat angles P-C4'-P energy: -74.908 tors. eta vs tors. theta energy: -188.498 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: 7 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1960.154611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.154611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.154611 (E_RNA) where: Base-Base interactions energy: -1369.826 where: short stacking energy: -552.004 Base-Backbone interact. energy: -2.203 local terms energy: -588.125683 where: bonds (distance) C4'-P energy: -106.958 bonds (distance) P-C4' energy: -101.783 flat angles C4'-P-C4' energy: -138.989 flat angles P-C4'-P energy: -78.112 tors. eta vs tors. theta energy: -162.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1851.342339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.342339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.342339 (E_RNA) where: Base-Base interactions energy: -1245.333 where: short stacking energy: -551.236 Base-Backbone interact. energy: -0.511 local terms energy: -605.498802 where: bonds (distance) C4'-P energy: -111.013 bonds (distance) P-C4' energy: -98.829 flat angles C4'-P-C4' energy: -128.248 flat angles P-C4'-P energy: -96.317 tors. eta vs tors. theta energy: -171.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1649.388407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.388407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.388407 (E_RNA) where: Base-Base interactions energy: -1096.292 where: short stacking energy: -480.559 Base-Backbone interact. energy: -0.818 local terms energy: -552.279075 where: bonds (distance) C4'-P energy: -109.253 bonds (distance) P-C4' energy: -92.830 flat angles C4'-P-C4' energy: -126.448 flat angles P-C4'-P energy: -90.908 tors. eta vs tors. theta energy: -132.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1565.738291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.738291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.738291 (E_RNA) where: Base-Base interactions energy: -1047.866 where: short stacking energy: -446.185 Base-Backbone interact. energy: -0.376 local terms energy: -517.496114 where: bonds (distance) C4'-P energy: -106.669 bonds (distance) P-C4' energy: -101.632 flat angles C4'-P-C4' energy: -111.088 flat angles P-C4'-P energy: -77.223 tors. eta vs tors. theta energy: -120.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1393.634314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.634314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.634314 (E_RNA) where: Base-Base interactions energy: -914.330 where: short stacking energy: -374.425 Base-Backbone interact. energy: -2.434 local terms energy: -476.870281 where: bonds (distance) C4'-P energy: -101.255 bonds (distance) P-C4' energy: -105.787 flat angles C4'-P-C4' energy: -122.216 flat angles P-C4'-P energy: -61.185 tors. eta vs tors. theta energy: -86.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -955.930867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.930867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.930867 (E_RNA) where: Base-Base interactions energy: -559.885 where: short stacking energy: -255.415 Base-Backbone interact. energy: -2.327 local terms energy: -393.718868 where: bonds (distance) C4'-P energy: -116.042 bonds (distance) P-C4' energy: -100.145 flat angles C4'-P-C4' energy: -98.381 flat angles P-C4'-P energy: -50.623 tors. eta vs tors. theta energy: -28.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -621.627388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.627388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.627388 (E_RNA) where: Base-Base interactions energy: -272.157 where: short stacking energy: -194.314 Base-Backbone interact. energy: -2.394 local terms energy: -347.076863 where: bonds (distance) C4'-P energy: -98.984 bonds (distance) P-C4' energy: -89.497 flat angles C4'-P-C4' energy: -92.880 flat angles P-C4'-P energy: -64.030 tors. eta vs tors. theta energy: -1.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -516.190431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.190431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.190431 (E_RNA) where: Base-Base interactions energy: -239.343 where: short stacking energy: -156.306 Base-Backbone interact. energy: 0.501 local terms energy: -277.349041 where: bonds (distance) C4'-P energy: -104.895 bonds (distance) P-C4' energy: -87.208 flat angles C4'-P-C4' energy: -75.766 flat angles P-C4'-P energy: -28.978 tors. eta vs tors. theta energy: 19.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2122.114788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.114788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.114788 (E_RNA) where: Base-Base interactions energy: -1471.881 where: short stacking energy: -595.512 Base-Backbone interact. energy: -1.920 local terms energy: -648.314197 where: bonds (distance) C4'-P energy: -124.120 bonds (distance) P-C4' energy: -118.243 flat angles C4'-P-C4' energy: -137.993 flat angles P-C4'-P energy: -92.120 tors. eta vs tors. theta energy: -175.838 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: 4 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2038.613779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.613779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.613779 (E_RNA) where: Base-Base interactions energy: -1376.850 where: short stacking energy: -577.602 Base-Backbone interact. energy: -3.197 local terms energy: -658.567207 where: bonds (distance) C4'-P energy: -127.490 bonds (distance) P-C4' energy: -118.934 flat angles C4'-P-C4' energy: -135.495 flat angles P-C4'-P energy: -85.141 tors. eta vs tors. theta energy: -191.507 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: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2033.608626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.608626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.608626 (E_RNA) where: Base-Base interactions energy: -1392.213 where: short stacking energy: -549.890 Base-Backbone interact. energy: -0.774 local terms energy: -640.621803 where: bonds (distance) C4'-P energy: -126.299 bonds (distance) P-C4' energy: -103.113 flat angles C4'-P-C4' energy: -140.960 flat angles P-C4'-P energy: -100.178 tors. eta vs tors. theta energy: -170.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1848.823639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.823639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.823639 (E_RNA) where: Base-Base interactions energy: -1236.125 where: short stacking energy: -536.617 Base-Backbone interact. energy: -0.912 local terms energy: -611.787379 where: bonds (distance) C4'-P energy: -105.740 bonds (distance) P-C4' energy: -133.317 flat angles C4'-P-C4' energy: -123.785 flat angles P-C4'-P energy: -85.892 tors. eta vs tors. theta energy: -163.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1681.550904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.550904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.550904 (E_RNA) where: Base-Base interactions energy: -1125.111 where: short stacking energy: -486.306 Base-Backbone interact. energy: -0.023 local terms energy: -556.416936 where: bonds (distance) C4'-P energy: -111.754 bonds (distance) P-C4' energy: -121.245 flat angles C4'-P-C4' energy: -125.535 flat angles P-C4'-P energy: -80.424 tors. eta vs tors. theta energy: -117.459 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: 3 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1617.205686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.205686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.205686 (E_RNA) where: Base-Base interactions energy: -1067.697 where: short stacking energy: -457.239 Base-Backbone interact. energy: -3.496 local terms energy: -546.012469 where: bonds (distance) C4'-P energy: -107.625 bonds (distance) P-C4' energy: -105.020 flat angles C4'-P-C4' energy: -109.585 flat angles P-C4'-P energy: -83.724 tors. eta vs tors. theta energy: -140.058 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: 10 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1375.354595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.354595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.354595 (E_RNA) where: Base-Base interactions energy: -887.006 where: short stacking energy: -380.302 Base-Backbone interact. energy: -3.138 local terms energy: -485.211229 where: bonds (distance) C4'-P energy: -102.152 bonds (distance) P-C4' energy: -104.193 flat angles C4'-P-C4' energy: -106.266 flat angles P-C4'-P energy: -70.047 tors. eta vs tors. theta energy: -102.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -976.961525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.961525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.961525 (E_RNA) where: Base-Base interactions energy: -546.196 where: short stacking energy: -262.400 Base-Backbone interact. energy: -2.304 local terms energy: -428.461654 where: bonds (distance) C4'-P energy: -100.795 bonds (distance) P-C4' energy: -113.957 flat angles C4'-P-C4' energy: -109.320 flat angles P-C4'-P energy: -62.114 tors. eta vs tors. theta energy: -42.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -628.821061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.821061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.821061 (E_RNA) where: Base-Base interactions energy: -289.012 where: short stacking energy: -158.891 Base-Backbone interact. energy: 1.889 local terms energy: -341.697908 where: bonds (distance) C4'-P energy: -93.063 bonds (distance) P-C4' energy: -112.128 flat angles C4'-P-C4' energy: -92.301 flat angles P-C4'-P energy: -57.844 tors. eta vs tors. theta energy: 13.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -571.744059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.744059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.744059 (E_RNA) where: Base-Base interactions energy: -236.107 where: short stacking energy: -124.800 Base-Backbone interact. energy: -1.126 local terms energy: -334.511404 where: bonds (distance) C4'-P energy: -87.643 bonds (distance) P-C4' energy: -98.352 flat angles C4'-P-C4' energy: -98.226 flat angles P-C4'-P energy: -52.887 tors. eta vs tors. theta energy: 2.595 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: 1, replica: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2142.067999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.067999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.067999 (E_RNA) where: Base-Base interactions energy: -1512.114 where: short stacking energy: -612.719 Base-Backbone interact. energy: -2.286 local terms energy: -627.668101 where: bonds (distance) C4'-P energy: -113.836 bonds (distance) P-C4' energy: -113.688 flat angles C4'-P-C4' energy: -137.515 flat angles P-C4'-P energy: -85.063 tors. eta vs tors. theta energy: -177.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2079.630089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.630089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.630089 (E_RNA) where: Base-Base interactions energy: -1432.893 where: short stacking energy: -610.460 Base-Backbone interact. energy: 1.670 local terms energy: -648.407298 where: bonds (distance) C4'-P energy: -123.776 bonds (distance) P-C4' energy: -119.820 flat angles C4'-P-C4' energy: -134.567 flat angles P-C4'-P energy: -83.817 tors. eta vs tors. theta energy: -186.428 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: 7 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1985.631769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.631769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.631769 (E_RNA) where: Base-Base interactions energy: -1365.028 where: short stacking energy: -542.057 Base-Backbone interact. energy: -3.181 local terms energy: -617.423123 where: bonds (distance) C4'-P energy: -128.886 bonds (distance) P-C4' energy: -111.726 flat angles C4'-P-C4' energy: -131.600 flat angles P-C4'-P energy: -82.225 tors. eta vs tors. theta energy: -162.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1844.193557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.193557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.193557 (E_RNA) where: Base-Base interactions energy: -1235.226 where: short stacking energy: -542.835 Base-Backbone interact. energy: -0.808 local terms energy: -608.158855 where: bonds (distance) C4'-P energy: -115.609 bonds (distance) P-C4' energy: -107.403 flat angles C4'-P-C4' energy: -126.788 flat angles P-C4'-P energy: -95.611 tors. eta vs tors. theta energy: -162.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1693.778610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.778610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.778610 (E_RNA) where: Base-Base interactions energy: -1114.165 where: short stacking energy: -482.409 Base-Backbone interact. energy: -3.276 local terms energy: -576.337517 where: bonds (distance) C4'-P energy: -111.594 bonds (distance) P-C4' energy: -123.795 flat angles C4'-P-C4' energy: -119.809 flat angles P-C4'-P energy: -70.312 tors. eta vs tors. theta energy: -150.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1663.173932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.173932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.173932 (E_RNA) where: Base-Base interactions energy: -1118.023 where: short stacking energy: -478.870 Base-Backbone interact. energy: -0.903 local terms energy: -544.247712 where: bonds (distance) C4'-P energy: -108.416 bonds (distance) P-C4' energy: -101.815 flat angles C4'-P-C4' energy: -114.968 flat angles P-C4'-P energy: -74.523 tors. eta vs tors. theta energy: -144.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1320.453901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.453901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.453901 (E_RNA) where: Base-Base interactions energy: -841.856 where: short stacking energy: -380.262 Base-Backbone interact. energy: -1.772 local terms energy: -476.825915 where: bonds (distance) C4'-P energy: -110.698 bonds (distance) P-C4' energy: -108.026 flat angles C4'-P-C4' energy: -97.100 flat angles P-C4'-P energy: -74.843 tors. eta vs tors. theta energy: -86.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -937.241940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.241940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.241940 (E_RNA) where: Base-Base interactions energy: -577.986 where: short stacking energy: -274.659 Base-Backbone interact. energy: -3.005 local terms energy: -356.251249 where: bonds (distance) C4'-P energy: -94.530 bonds (distance) P-C4' energy: -93.642 flat angles C4'-P-C4' energy: -90.721 flat angles P-C4'-P energy: -57.719 tors. eta vs tors. theta energy: -19.639 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: 413 Temperature: 1.300000 Total energy: -606.605613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.605613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.605613 (E_RNA) where: Base-Base interactions energy: -272.620 where: short stacking energy: -173.819 Base-Backbone interact. energy: -1.729 local terms energy: -332.256240 where: bonds (distance) C4'-P energy: -85.210 bonds (distance) P-C4' energy: -101.036 flat angles C4'-P-C4' energy: -95.761 flat angles P-C4'-P energy: -47.326 tors. eta vs tors. theta energy: -2.924 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: 8 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -563.020579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.020579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.020579 (E_RNA) where: Base-Base interactions energy: -238.098 where: short stacking energy: -147.975 Base-Backbone interact. energy: 2.962 local terms energy: -327.885311 where: bonds (distance) C4'-P energy: -92.365 bonds (distance) P-C4' energy: -120.540 flat angles C4'-P-C4' energy: -68.646 flat angles P-C4'-P energy: -55.084 tors. eta vs tors. theta energy: 8.750 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: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2139.032971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.032971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.032971 (E_RNA) where: Base-Base interactions energy: -1488.457 where: short stacking energy: -615.503 Base-Backbone interact. energy: 0.742 local terms energy: -651.317717 where: bonds (distance) C4'-P energy: -117.524 bonds (distance) P-C4' energy: -124.047 flat angles C4'-P-C4' energy: -138.633 flat angles P-C4'-P energy: -89.405 tors. eta vs tors. theta energy: -181.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2063.308862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.308862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.308862 (E_RNA) where: Base-Base interactions energy: -1409.567 where: short stacking energy: -609.640 Base-Backbone interact. energy: 1.068 local terms energy: -654.809823 where: bonds (distance) C4'-P energy: -115.644 bonds (distance) P-C4' energy: -119.835 flat angles C4'-P-C4' energy: -138.654 flat angles P-C4'-P energy: -92.654 tors. eta vs tors. theta energy: -188.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1985.401983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.401983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.401983 (E_RNA) where: Base-Base interactions energy: -1406.835 where: short stacking energy: -538.012 Base-Backbone interact. energy: 0.883 local terms energy: -579.450233 where: bonds (distance) C4'-P energy: -118.232 bonds (distance) P-C4' energy: -102.178 flat angles C4'-P-C4' energy: -128.494 flat angles P-C4'-P energy: -76.837 tors. eta vs tors. theta energy: -153.710 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: 414 Temperature: 1.050000 Total energy: -1836.797953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.797953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.797953 (E_RNA) where: Base-Base interactions energy: -1238.220 where: short stacking energy: -518.774 Base-Backbone interact. energy: -2.266 local terms energy: -596.312234 where: bonds (distance) C4'-P energy: -109.087 bonds (distance) P-C4' energy: -117.548 flat angles C4'-P-C4' energy: -133.511 flat angles P-C4'-P energy: -80.273 tors. eta vs tors. theta energy: -155.893 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: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1691.155167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.155167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.155167 (E_RNA) where: Base-Base interactions energy: -1146.816 where: short stacking energy: -497.623 Base-Backbone interact. energy: -1.384 local terms energy: -542.954982 where: bonds (distance) C4'-P energy: -116.650 bonds (distance) P-C4' energy: -110.261 flat angles C4'-P-C4' energy: -112.108 flat angles P-C4'-P energy: -75.700 tors. eta vs tors. theta energy: -128.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1640.975763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.975763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.975763 (E_RNA) where: Base-Base interactions energy: -1096.914 where: short stacking energy: -453.460 Base-Backbone interact. energy: -2.198 local terms energy: -541.863406 where: bonds (distance) C4'-P energy: -114.886 bonds (distance) P-C4' energy: -108.936 flat angles C4'-P-C4' energy: -111.170 flat angles P-C4'-P energy: -80.329 tors. eta vs tors. theta energy: -126.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1310.944235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.944235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.944235 (E_RNA) where: Base-Base interactions energy: -851.901 where: short stacking energy: -360.248 Base-Backbone interact. energy: -0.973 local terms energy: -458.069788 where: bonds (distance) C4'-P energy: -83.347 bonds (distance) P-C4' energy: -114.939 flat angles C4'-P-C4' energy: -109.850 flat angles P-C4'-P energy: -73.772 tors. eta vs tors. theta energy: -76.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -942.834842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.834842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.834842 (E_RNA) where: Base-Base interactions energy: -538.747 where: short stacking energy: -250.623 Base-Backbone interact. energy: -2.642 local terms energy: -401.446521 where: bonds (distance) C4'-P energy: -107.766 bonds (distance) P-C4' energy: -105.578 flat angles C4'-P-C4' energy: -117.178 flat angles P-C4'-P energy: -60.202 tors. eta vs tors. theta energy: -10.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -590.614812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.614812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.614812 (E_RNA) where: Base-Base interactions energy: -264.879 where: short stacking energy: -158.729 Base-Backbone interact. energy: 3.888 local terms energy: -329.622856 where: bonds (distance) C4'-P energy: -94.684 bonds (distance) P-C4' energy: -108.381 flat angles C4'-P-C4' energy: -92.204 flat angles P-C4'-P energy: -62.624 tors. eta vs tors. theta energy: 28.270 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: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -554.324557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.324557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.324557 (E_RNA) where: Base-Base interactions energy: -236.451 where: short stacking energy: -140.938 Base-Backbone interact. energy: -1.259 local terms energy: -316.614691 where: bonds (distance) C4'-P energy: -97.298 bonds (distance) P-C4' energy: -98.227 flat angles C4'-P-C4' energy: -84.493 flat angles P-C4'-P energy: -52.925 tors. eta vs tors. theta energy: 16.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2165.174348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.174348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.174348 (E_RNA) where: Base-Base interactions energy: -1506.842 where: short stacking energy: -623.516 Base-Backbone interact. energy: -2.147 local terms energy: -656.185575 where: bonds (distance) C4'-P energy: -110.459 bonds (distance) P-C4' energy: -119.681 flat angles C4'-P-C4' energy: -142.880 flat angles P-C4'-P energy: -95.316 tors. eta vs tors. theta energy: -187.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2034.932305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.932305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.932305 (E_RNA) where: Base-Base interactions energy: -1366.032 where: short stacking energy: -607.335 Base-Backbone interact. energy: -4.219 local terms energy: -664.681532 where: bonds (distance) C4'-P energy: -119.985 bonds (distance) P-C4' energy: -126.118 flat angles C4'-P-C4' energy: -130.176 flat angles P-C4'-P energy: -93.932 tors. eta vs tors. theta energy: -194.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1966.538493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.538493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.538493 (E_RNA) where: Base-Base interactions energy: -1363.130 where: short stacking energy: -551.140 Base-Backbone interact. energy: -3.172 local terms energy: -600.237027 where: bonds (distance) C4'-P energy: -114.403 bonds (distance) P-C4' energy: -122.848 flat angles C4'-P-C4' energy: -122.446 flat angles P-C4'-P energy: -76.620 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: 4, replica: 2 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1851.720010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.720010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.720010 (E_RNA) where: Base-Base interactions energy: -1212.067 where: short stacking energy: -514.450 Base-Backbone interact. energy: 0.220 local terms energy: -639.872956 where: bonds (distance) C4'-P energy: -122.672 bonds (distance) P-C4' energy: -119.231 flat angles C4'-P-C4' energy: -128.024 flat angles P-C4'-P energy: -93.325 tors. eta vs tors. theta energy: -176.621 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: 5 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1617.316890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.316890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.316890 (E_RNA) where: Base-Base interactions energy: -1064.481 where: short stacking energy: -447.617 Base-Backbone interact. energy: 0.308 local terms energy: -553.144374 where: bonds (distance) C4'-P energy: -106.256 bonds (distance) P-C4' energy: -115.313 flat angles C4'-P-C4' energy: -127.122 flat angles P-C4'-P energy: -83.470 tors. eta vs tors. theta energy: -120.983 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: 3 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1642.850085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.850085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.850085 (E_RNA) where: Base-Base interactions energy: -1069.101 where: short stacking energy: -461.930 Base-Backbone interact. energy: 0.960 local terms energy: -574.708606 where: bonds (distance) C4'-P energy: -116.522 bonds (distance) P-C4' energy: -108.576 flat angles C4'-P-C4' energy: -133.986 flat angles P-C4'-P energy: -72.093 tors. eta vs tors. theta energy: -143.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1311.018712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.018712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.018712 (E_RNA) where: Base-Base interactions energy: -844.851 where: short stacking energy: -351.667 Base-Backbone interact. energy: 3.933 local terms energy: -470.100902 where: bonds (distance) C4'-P energy: -107.667 bonds (distance) P-C4' energy: -98.266 flat angles C4'-P-C4' energy: -110.854 flat angles P-C4'-P energy: -72.968 tors. eta vs tors. theta energy: -80.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1004.417961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.417961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.417961 (E_RNA) where: Base-Base interactions energy: -597.194 where: short stacking energy: -277.029 Base-Backbone interact. energy: -0.422 local terms energy: -406.802563 where: bonds (distance) C4'-P energy: -95.069 bonds (distance) P-C4' energy: -129.188 flat angles C4'-P-C4' energy: -102.578 flat angles P-C4'-P energy: -52.928 tors. eta vs tors. theta energy: -27.040 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: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -588.705738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.705738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.705738 (E_RNA) where: Base-Base interactions energy: -262.251 where: short stacking energy: -172.948 Base-Backbone interact. energy: 1.565 local terms energy: -328.019696 where: bonds (distance) C4'-P energy: -106.068 bonds (distance) P-C4' energy: -101.366 flat angles C4'-P-C4' energy: -78.707 flat angles P-C4'-P energy: -51.939 tors. eta vs tors. theta energy: 10.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -565.025385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.025385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.025385 (E_RNA) where: Base-Base interactions energy: -253.787 where: short stacking energy: -148.227 Base-Backbone interact. energy: -2.673 local terms energy: -308.565416 where: bonds (distance) C4'-P energy: -93.171 bonds (distance) P-C4' energy: -100.848 flat angles C4'-P-C4' energy: -75.067 flat angles P-C4'-P energy: -59.952 tors. eta vs tors. theta energy: 20.473 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: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2137.970543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.970543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.970543 (E_RNA) where: Base-Base interactions energy: -1492.170 where: short stacking energy: -602.573 Base-Backbone interact. energy: -4.196 local terms energy: -641.604715 where: bonds (distance) C4'-P energy: -124.437 bonds (distance) P-C4' energy: -109.362 flat angles C4'-P-C4' energy: -139.321 flat angles P-C4'-P energy: -95.462 tors. eta vs tors. theta energy: -173.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2031.369011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.369011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.369011 (E_RNA) where: Base-Base interactions energy: -1384.488 where: short stacking energy: -595.412 Base-Backbone interact. energy: 0.877 local terms energy: -647.758614 where: bonds (distance) C4'-P energy: -116.496 bonds (distance) P-C4' energy: -116.938 flat angles C4'-P-C4' energy: -139.810 flat angles P-C4'-P energy: -88.581 tors. eta vs tors. theta energy: -185.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2005.722512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.722512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.722512 (E_RNA) where: Base-Base interactions energy: -1392.726 where: short stacking energy: -566.519 Base-Backbone interact. energy: -2.683 local terms energy: -610.313833 where: bonds (distance) C4'-P energy: -103.281 bonds (distance) P-C4' energy: -110.361 flat angles C4'-P-C4' energy: -135.967 flat angles P-C4'-P energy: -94.169 tors. eta vs tors. theta energy: -166.536 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: 4, replica: 2 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1828.664289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.664289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.664289 (E_RNA) where: Base-Base interactions energy: -1208.600 where: short stacking energy: -526.194 Base-Backbone interact. energy: 2.041 local terms energy: -622.105779 where: bonds (distance) C4'-P energy: -116.298 bonds (distance) P-C4' energy: -124.222 flat angles C4'-P-C4' energy: -122.469 flat angles P-C4'-P energy: -87.640 tors. eta vs tors. theta energy: -171.477 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: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1682.201203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.201203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.201203 (E_RNA) where: Base-Base interactions energy: -1121.063 where: short stacking energy: -486.050 Base-Backbone interact. energy: 0.549 local terms energy: -561.686958 where: bonds (distance) C4'-P energy: -103.587 bonds (distance) P-C4' energy: -126.683 flat angles C4'-P-C4' energy: -112.158 flat angles P-C4'-P energy: -79.047 tors. eta vs tors. theta energy: -140.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1658.998295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.998295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.998295 (E_RNA) where: Base-Base interactions energy: -1119.931 where: short stacking energy: -460.672 Base-Backbone interact. energy: 0.639 local terms energy: -539.707082 where: bonds (distance) C4'-P energy: -114.421 bonds (distance) P-C4' energy: -110.319 flat angles C4'-P-C4' energy: -119.312 flat angles P-C4'-P energy: -67.146 tors. eta vs tors. theta energy: -128.509 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: 10 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1314.831796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.831796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.831796 (E_RNA) where: Base-Base interactions energy: -891.206 where: short stacking energy: -389.305 Base-Backbone interact. energy: 1.601 local terms energy: -425.226905 where: bonds (distance) C4'-P energy: -98.453 bonds (distance) P-C4' energy: -93.216 flat angles C4'-P-C4' energy: -90.278 flat angles P-C4'-P energy: -51.366 tors. eta vs tors. theta energy: -91.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -964.472846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.472846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.472846 (E_RNA) where: Base-Base interactions energy: -559.884 where: short stacking energy: -261.154 Base-Backbone interact. energy: -0.859 local terms energy: -403.729743 where: bonds (distance) C4'-P energy: -103.614 bonds (distance) P-C4' energy: -106.287 flat angles C4'-P-C4' energy: -103.434 flat angles P-C4'-P energy: -68.729 tors. eta vs tors. theta energy: -21.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -653.029857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.029857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.029857 (E_RNA) where: Base-Base interactions energy: -335.802 where: short stacking energy: -164.785 Base-Backbone interact. energy: -2.044 local terms energy: -315.183820 where: bonds (distance) C4'-P energy: -92.862 bonds (distance) P-C4' energy: -95.884 flat angles C4'-P-C4' energy: -96.132 flat angles P-C4'-P energy: -49.586 tors. eta vs tors. theta energy: 19.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -571.564717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.564717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.564717 (E_RNA) where: Base-Base interactions energy: -257.574 where: short stacking energy: -160.318 Base-Backbone interact. energy: -1.829 local terms energy: -312.161244 where: bonds (distance) C4'-P energy: -94.509 bonds (distance) P-C4' energy: -96.140 flat angles C4'-P-C4' energy: -79.278 flat angles P-C4'-P energy: -39.467 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2145.439797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.439797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.439797 (E_RNA) where: Base-Base interactions energy: -1507.106 where: short stacking energy: -612.653 Base-Backbone interact. energy: -2.008 local terms energy: -636.326100 where: bonds (distance) C4'-P energy: -128.319 bonds (distance) P-C4' energy: -105.378 flat angles C4'-P-C4' energy: -143.272 flat angles P-C4'-P energy: -83.635 tors. eta vs tors. theta energy: -175.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1984.178757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.178757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.178757 (E_RNA) where: Base-Base interactions energy: -1348.131 where: short stacking energy: -550.272 Base-Backbone interact. energy: -1.946 local terms energy: -634.102369 where: bonds (distance) C4'-P energy: -124.272 bonds (distance) P-C4' energy: -121.163 flat angles C4'-P-C4' energy: -127.306 flat angles P-C4'-P energy: -94.103 tors. eta vs tors. theta energy: -167.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1967.382984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.382984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.382984 (E_RNA) where: Base-Base interactions energy: -1349.437 where: short stacking energy: -544.832 Base-Backbone interact. energy: -0.421 local terms energy: -617.525495 where: bonds (distance) C4'-P energy: -117.474 bonds (distance) P-C4' energy: -122.358 flat angles C4'-P-C4' energy: -129.640 flat angles P-C4'-P energy: -83.025 tors. eta vs tors. theta energy: -165.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1845.032353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.032353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.032353 (E_RNA) where: Base-Base interactions energy: -1229.906 where: short stacking energy: -541.872 Base-Backbone interact. energy: -3.141 local terms energy: -611.984931 where: bonds (distance) C4'-P energy: -108.801 bonds (distance) P-C4' energy: -111.955 flat angles C4'-P-C4' energy: -131.148 flat angles P-C4'-P energy: -84.773 tors. eta vs tors. theta energy: -175.308 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: 5, replica: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1733.794838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.794838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.794838 (E_RNA) where: Base-Base interactions energy: -1170.826 where: short stacking energy: -487.542 Base-Backbone interact. energy: -3.177 local terms energy: -559.791831 where: bonds (distance) C4'-P energy: -114.805 bonds (distance) P-C4' energy: -104.274 flat angles C4'-P-C4' energy: -115.733 flat angles P-C4'-P energy: -80.634 tors. eta vs tors. theta energy: -144.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1671.598855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.598855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.598855 (E_RNA) where: Base-Base interactions energy: -1136.558 where: short stacking energy: -471.118 Base-Backbone interact. energy: -2.151 local terms energy: -532.890149 where: bonds (distance) C4'-P energy: -100.431 bonds (distance) P-C4' energy: -97.169 flat angles C4'-P-C4' energy: -125.888 flat angles P-C4'-P energy: -76.648 tors. eta vs tors. theta energy: -132.754 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: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1285.724201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.724201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.724201 (E_RNA) where: Base-Base interactions energy: -820.923 where: short stacking energy: -351.428 Base-Backbone interact. energy: 1.038 local terms energy: -465.838508 where: bonds (distance) C4'-P energy: -99.081 bonds (distance) P-C4' energy: -119.483 flat angles C4'-P-C4' energy: -116.539 flat angles P-C4'-P energy: -58.300 tors. eta vs tors. theta energy: -72.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1015.611091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.611091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.611091 (E_RNA) where: Base-Base interactions energy: -602.792 where: short stacking energy: -262.223 Base-Backbone interact. energy: -0.541 local terms energy: -412.278128 where: bonds (distance) C4'-P energy: -115.949 bonds (distance) P-C4' energy: -113.292 flat angles C4'-P-C4' energy: -86.956 flat angles P-C4'-P energy: -62.593 tors. eta vs tors. theta energy: -33.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -575.449473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.449473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.449473 (E_RNA) where: Base-Base interactions energy: -245.880 where: short stacking energy: -147.198 Base-Backbone interact. energy: 0.227 local terms energy: -329.796477 where: bonds (distance) C4'-P energy: -92.642 bonds (distance) P-C4' energy: -101.152 flat angles C4'-P-C4' energy: -98.682 flat angles P-C4'-P energy: -51.366 tors. eta vs tors. theta energy: 14.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -550.977814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.977814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.977814 (E_RNA) where: Base-Base interactions energy: -217.402 where: short stacking energy: -143.326 Base-Backbone interact. energy: -3.640 local terms energy: -329.935970 where: bonds (distance) C4'-P energy: -89.689 bonds (distance) P-C4' energy: -105.947 flat angles C4'-P-C4' energy: -92.232 flat angles P-C4'-P energy: -53.836 tors. eta vs tors. theta energy: 11.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2159.900105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.900105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.900105 (E_RNA) where: Base-Base interactions energy: -1491.213 where: short stacking energy: -608.665 Base-Backbone interact. energy: 2.529 local terms energy: -671.215963 where: bonds (distance) C4'-P energy: -120.913 bonds (distance) P-C4' energy: -120.238 flat angles C4'-P-C4' energy: -149.115 flat angles P-C4'-P energy: -102.630 tors. eta vs tors. theta energy: -178.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2035.308913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.308913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.308913 (E_RNA) where: Base-Base interactions energy: -1387.561 where: short stacking energy: -583.744 Base-Backbone interact. energy: -2.194 local terms energy: -645.553923 where: bonds (distance) C4'-P energy: -123.179 bonds (distance) P-C4' energy: -105.703 flat angles C4'-P-C4' energy: -135.383 flat angles P-C4'-P energy: -96.895 tors. eta vs tors. theta energy: -184.394 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: 3, replica: 7 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2002.216977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.216977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.216977 (E_RNA) where: Base-Base interactions energy: -1395.778 where: short stacking energy: -574.907 Base-Backbone interact. energy: -2.666 local terms energy: -603.773104 where: bonds (distance) C4'-P energy: -108.891 bonds (distance) P-C4' energy: -106.352 flat angles C4'-P-C4' energy: -125.974 flat angles P-C4'-P energy: -88.381 tors. eta vs tors. theta energy: -174.174 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: 4, replica: 2 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1815.886380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.886380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.886380 (E_RNA) where: Base-Base interactions energy: -1223.725 where: short stacking energy: -531.421 Base-Backbone interact. energy: -1.534 local terms energy: -590.626791 where: bonds (distance) C4'-P energy: -104.326 bonds (distance) P-C4' energy: -104.020 flat angles C4'-P-C4' energy: -129.809 flat angles P-C4'-P energy: -88.481 tors. eta vs tors. theta energy: -163.991 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: 5 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1743.012644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.012644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.012644 (E_RNA) where: Base-Base interactions energy: -1177.171 where: short stacking energy: -516.313 Base-Backbone interact. energy: -3.494 local terms energy: -562.348272 where: bonds (distance) C4'-P energy: -109.837 bonds (distance) P-C4' energy: -112.016 flat angles C4'-P-C4' energy: -123.608 flat angles P-C4'-P energy: -73.413 tors. eta vs tors. theta energy: -143.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1658.970314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.970314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.970314 (E_RNA) where: Base-Base interactions energy: -1120.904 where: short stacking energy: -469.535 Base-Backbone interact. energy: -0.663 local terms energy: -537.404161 where: bonds (distance) C4'-P energy: -115.377 bonds (distance) P-C4' energy: -106.871 flat angles C4'-P-C4' energy: -102.992 flat angles P-C4'-P energy: -86.855 tors. eta vs tors. theta energy: -125.309 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: 10 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1363.562904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.562904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.562904 (E_RNA) where: Base-Base interactions energy: -871.874 where: short stacking energy: -402.927 Base-Backbone interact. energy: -1.620 local terms energy: -490.069027 where: bonds (distance) C4'-P energy: -96.754 bonds (distance) P-C4' energy: -118.288 flat angles C4'-P-C4' energy: -114.540 flat angles P-C4'-P energy: -74.779 tors. eta vs tors. theta energy: -85.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -979.505028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.505028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.505028 (E_RNA) where: Base-Base interactions energy: -583.561 where: short stacking energy: -262.451 Base-Backbone interact. energy: 1.366 local terms energy: -397.309428 where: bonds (distance) C4'-P energy: -99.489 bonds (distance) P-C4' energy: -101.187 flat angles C4'-P-C4' energy: -107.894 flat angles P-C4'-P energy: -46.964 tors. eta vs tors. theta energy: -41.776 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: 8 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -604.226254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.226254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.226254 (E_RNA) where: Base-Base interactions energy: -257.897 where: short stacking energy: -154.660 Base-Backbone interact. energy: 0.392 local terms energy: -346.720897 where: bonds (distance) C4'-P energy: -90.169 bonds (distance) P-C4' energy: -113.338 flat angles C4'-P-C4' energy: -95.422 flat angles P-C4'-P energy: -66.525 tors. eta vs tors. theta energy: 18.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -548.595637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.595637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.595637 (E_RNA) where: Base-Base interactions energy: -236.687 where: short stacking energy: -154.061 Base-Backbone interact. energy: -2.061 local terms energy: -309.847408 where: bonds (distance) C4'-P energy: -105.361 bonds (distance) P-C4' energy: -94.127 flat angles C4'-P-C4' energy: -81.850 flat angles P-C4'-P energy: -43.442 tors. eta vs tors. theta energy: 14.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2157.539720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.539720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.539720 (E_RNA) where: Base-Base interactions energy: -1495.331 where: short stacking energy: -625.942 Base-Backbone interact. energy: -3.960 local terms energy: -658.248526 where: bonds (distance) C4'-P energy: -124.576 bonds (distance) P-C4' energy: -125.148 flat angles C4'-P-C4' energy: -142.556 flat angles P-C4'-P energy: -87.022 tors. eta vs tors. theta energy: -178.946 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: 2, replica: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2056.951772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.951772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.951772 (E_RNA) where: Base-Base interactions energy: -1408.646 where: short stacking energy: -583.081 Base-Backbone interact. energy: -0.429 local terms energy: -647.876310 where: bonds (distance) C4'-P energy: -112.587 bonds (distance) P-C4' energy: -121.795 flat angles C4'-P-C4' energy: -118.993 flat angles P-C4'-P energy: -106.318 tors. eta vs tors. theta energy: -188.184 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: 7 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2018.296869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.296869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.296869 (E_RNA) where: Base-Base interactions energy: -1392.121 where: short stacking energy: -566.061 Base-Backbone interact. energy: -0.717 local terms energy: -625.459087 where: bonds (distance) C4'-P energy: -118.153 bonds (distance) P-C4' energy: -123.997 flat angles C4'-P-C4' energy: -131.253 flat angles P-C4'-P energy: -80.142 tors. eta vs tors. theta energy: -171.915 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: 4, replica: 2 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1800.152966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.152966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.152966 (E_RNA) where: Base-Base interactions energy: -1235.670 where: short stacking energy: -534.165 Base-Backbone interact. energy: 3.806 local terms energy: -568.288521 where: bonds (distance) C4'-P energy: -111.162 bonds (distance) P-C4' energy: -112.841 flat angles C4'-P-C4' energy: -117.432 flat angles P-C4'-P energy: -71.339 tors. eta vs tors. theta energy: -155.514 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: 5 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1692.355201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.355201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.355201 (E_RNA) where: Base-Base interactions energy: -1133.503 where: short stacking energy: -486.333 Base-Backbone interact. energy: -2.022 local terms energy: -556.830072 where: bonds (distance) C4'-P energy: -99.635 bonds (distance) P-C4' energy: -126.234 flat angles C4'-P-C4' energy: -118.933 flat angles P-C4'-P energy: -69.288 tors. eta vs tors. theta energy: -142.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1562.153883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.153883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.153883 (E_RNA) where: Base-Base interactions energy: -1035.761 where: short stacking energy: -421.832 Base-Backbone interact. energy: -2.407 local terms energy: -523.986082 where: bonds (distance) C4'-P energy: -107.367 bonds (distance) P-C4' energy: -123.863 flat angles C4'-P-C4' energy: -108.405 flat angles P-C4'-P energy: -71.747 tors. eta vs tors. theta energy: -112.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1348.004499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.004499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.004499 (E_RNA) where: Base-Base interactions energy: -908.846 where: short stacking energy: -381.679 Base-Backbone interact. energy: -2.472 local terms energy: -436.686487 where: bonds (distance) C4'-P energy: -85.529 bonds (distance) P-C4' energy: -90.741 flat angles C4'-P-C4' energy: -113.968 flat angles P-C4'-P energy: -60.689 tors. eta vs tors. theta energy: -85.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -888.910940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.910940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.910940 (E_RNA) where: Base-Base interactions energy: -503.981 where: short stacking energy: -244.062 Base-Backbone interact. energy: -1.255 local terms energy: -383.675091 where: bonds (distance) C4'-P energy: -91.423 bonds (distance) P-C4' energy: -102.692 flat angles C4'-P-C4' energy: -92.155 flat angles P-C4'-P energy: -66.319 tors. eta vs tors. theta energy: -31.086 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: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -592.178619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.178619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.178619 (E_RNA) where: Base-Base interactions energy: -272.771 where: short stacking energy: -180.874 Base-Backbone interact. energy: 3.552 local terms energy: -322.959698 where: bonds (distance) C4'-P energy: -100.552 bonds (distance) P-C4' energy: -88.647 flat angles C4'-P-C4' energy: -73.862 flat angles P-C4'-P energy: -66.249 tors. eta vs tors. theta energy: 6.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -515.473068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.473068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.473068 (E_RNA) where: Base-Base interactions energy: -187.731 where: short stacking energy: -141.165 Base-Backbone interact. energy: 0.549 local terms energy: -328.291897 where: bonds (distance) C4'-P energy: -98.826 bonds (distance) P-C4' energy: -94.561 flat angles C4'-P-C4' energy: -75.469 flat angles P-C4'-P energy: -73.236 tors. eta vs tors. theta energy: 13.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2160.697135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.697135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.697135 (E_RNA) where: Base-Base interactions energy: -1491.324 where: short stacking energy: -621.235 Base-Backbone interact. energy: -3.218 local terms energy: -666.155872 where: bonds (distance) C4'-P energy: -124.840 bonds (distance) P-C4' energy: -119.274 flat angles C4'-P-C4' energy: -140.968 flat angles P-C4'-P energy: -94.901 tors. eta vs tors. theta energy: -186.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2066.304424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.304424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.304424 (E_RNA) where: Base-Base interactions energy: -1401.605 where: short stacking energy: -574.753 Base-Backbone interact. energy: -4.292 local terms energy: -660.407425 where: bonds (distance) C4'-P energy: -117.143 bonds (distance) P-C4' energy: -123.445 flat angles C4'-P-C4' energy: -141.731 flat angles P-C4'-P energy: -95.364 tors. eta vs tors. theta energy: -182.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2026.544639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.544639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.544639 (E_RNA) where: Base-Base interactions energy: -1386.572 where: short stacking energy: -562.541 Base-Backbone interact. energy: -4.284 local terms energy: -635.688813 where: bonds (distance) C4'-P energy: -118.280 bonds (distance) P-C4' energy: -125.433 flat angles C4'-P-C4' energy: -127.632 flat angles P-C4'-P energy: -89.692 tors. eta vs tors. theta energy: -174.652 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: 420 Temperature: 1.050000 Total energy: -1839.632844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.632844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.632844 (E_RNA) where: Base-Base interactions energy: -1246.036 where: short stacking energy: -516.468 Base-Backbone interact. energy: 2.806 local terms energy: -596.402053 where: bonds (distance) C4'-P energy: -100.992 bonds (distance) P-C4' energy: -112.375 flat angles C4'-P-C4' energy: -135.149 flat angles P-C4'-P energy: -87.425 tors. eta vs tors. theta energy: -160.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1692.373937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.373937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.373937 (E_RNA) where: Base-Base interactions energy: -1151.722 where: short stacking energy: -475.253 Base-Backbone interact. energy: -2.168 local terms energy: -538.484075 where: bonds (distance) C4'-P energy: -126.187 bonds (distance) P-C4' energy: -104.344 flat angles C4'-P-C4' energy: -103.961 flat angles P-C4'-P energy: -78.576 tors. eta vs tors. theta energy: -125.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1566.332700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.332700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.332700 (E_RNA) where: Base-Base interactions energy: -1030.555 where: short stacking energy: -434.836 Base-Backbone interact. energy: 1.563 local terms energy: -537.340980 where: bonds (distance) C4'-P energy: -104.328 bonds (distance) P-C4' energy: -121.910 flat angles C4'-P-C4' energy: -123.513 flat angles P-C4'-P energy: -76.691 tors. eta vs tors. theta energy: -110.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1326.961202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.961202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.961202 (E_RNA) where: Base-Base interactions energy: -882.551 where: short stacking energy: -406.910 Base-Backbone interact. energy: -3.130 local terms energy: -441.280164 where: bonds (distance) C4'-P energy: -80.265 bonds (distance) P-C4' energy: -85.976 flat angles C4'-P-C4' energy: -118.472 flat angles P-C4'-P energy: -66.314 tors. eta vs tors. theta energy: -90.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -987.289043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.289043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.289043 (E_RNA) where: Base-Base interactions energy: -584.528 where: short stacking energy: -240.212 Base-Backbone interact. energy: -0.661 local terms energy: -402.100391 where: bonds (distance) C4'-P energy: -90.602 bonds (distance) P-C4' energy: -102.543 flat angles C4'-P-C4' energy: -107.729 flat angles P-C4'-P energy: -63.889 tors. eta vs tors. theta energy: -37.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -604.085609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.085609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.085609 (E_RNA) where: Base-Base interactions energy: -272.686 where: short stacking energy: -164.052 Base-Backbone interact. energy: 3.332 local terms energy: -334.731887 where: bonds (distance) C4'-P energy: -94.012 bonds (distance) P-C4' energy: -109.820 flat angles C4'-P-C4' energy: -76.652 flat angles P-C4'-P energy: -59.089 tors. eta vs tors. theta energy: 4.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -503.159870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.159870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.159870 (E_RNA) where: Base-Base interactions energy: -181.307 where: short stacking energy: -129.596 Base-Backbone interact. energy: -2.125 local terms energy: -319.728600 where: bonds (distance) C4'-P energy: -92.493 bonds (distance) P-C4' energy: -84.471 flat angles C4'-P-C4' energy: -92.460 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: 14.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2176.683491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.683491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.683491 (E_RNA) where: Base-Base interactions energy: -1498.347 where: short stacking energy: -632.226 Base-Backbone interact. energy: -2.217 local terms energy: -676.119598 where: bonds (distance) C4'-P energy: -123.861 bonds (distance) P-C4' energy: -117.497 flat angles C4'-P-C4' energy: -138.412 flat angles P-C4'-P energy: -111.616 tors. eta vs tors. theta energy: -184.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2060.919661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.919661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.919661 (E_RNA) where: Base-Base interactions energy: -1431.964 where: short stacking energy: -598.470 Base-Backbone interact. energy: -1.878 local terms energy: -627.078219 where: bonds (distance) C4'-P energy: -93.216 bonds (distance) P-C4' energy: -122.516 flat angles C4'-P-C4' energy: -134.027 flat angles P-C4'-P energy: -83.713 tors. eta vs tors. theta energy: -193.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2011.837234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.837234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.837234 (E_RNA) where: Base-Base interactions energy: -1396.662 where: short stacking energy: -552.273 Base-Backbone interact. energy: -2.005 local terms energy: -613.170427 where: bonds (distance) C4'-P energy: -113.572 bonds (distance) P-C4' energy: -117.329 flat angles C4'-P-C4' energy: -127.773 flat angles P-C4'-P energy: -81.548 tors. eta vs tors. theta energy: -172.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1845.794459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.794459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.794459 (E_RNA) where: Base-Base interactions energy: -1233.764 where: short stacking energy: -519.427 Base-Backbone interact. energy: 0.097 local terms energy: -612.128147 where: bonds (distance) C4'-P energy: -117.907 bonds (distance) P-C4' energy: -121.840 flat angles C4'-P-C4' energy: -134.798 flat angles P-C4'-P energy: -86.735 tors. eta vs tors. theta energy: -150.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1703.142926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.142926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.142926 (E_RNA) where: Base-Base interactions energy: -1124.344 where: short stacking energy: -450.985 Base-Backbone interact. energy: -4.132 local terms energy: -574.667195 where: bonds (distance) C4'-P energy: -106.505 bonds (distance) P-C4' energy: -136.705 flat angles C4'-P-C4' energy: -113.027 flat angles P-C4'-P energy: -81.793 tors. eta vs tors. theta energy: -136.637 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: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1522.884404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.884404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.884404 (E_RNA) where: Base-Base interactions energy: -1019.151 where: short stacking energy: -423.087 Base-Backbone interact. energy: -2.973 local terms energy: -500.760455 where: bonds (distance) C4'-P energy: -107.658 bonds (distance) P-C4' energy: -123.102 flat angles C4'-P-C4' energy: -97.314 flat angles P-C4'-P energy: -61.448 tors. eta vs tors. theta energy: -111.238 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: 7, replica: 10 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1355.668414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.668414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.668414 (E_RNA) where: Base-Base interactions energy: -894.719 where: short stacking energy: -380.535 Base-Backbone interact. energy: 0.824 local terms energy: -461.772658 where: bonds (distance) C4'-P energy: -98.398 bonds (distance) P-C4' energy: -107.739 flat angles C4'-P-C4' energy: -88.393 flat angles P-C4'-P energy: -80.386 tors. eta vs tors. theta energy: -86.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -988.602300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.602300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.602300 (E_RNA) where: Base-Base interactions energy: -589.139 where: short stacking energy: -269.690 Base-Backbone interact. energy: 3.462 local terms energy: -402.925051 where: bonds (distance) C4'-P energy: -112.838 bonds (distance) P-C4' energy: -103.564 flat angles C4'-P-C4' energy: -92.206 flat angles P-C4'-P energy: -67.866 tors. eta vs tors. theta energy: -26.451 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: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -608.937324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.937324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.937324 (E_RNA) where: Base-Base interactions energy: -276.823 where: short stacking energy: -179.588 Base-Backbone interact. energy: -2.931 local terms energy: -329.183278 where: bonds (distance) C4'-P energy: -99.266 bonds (distance) P-C4' energy: -90.235 flat angles C4'-P-C4' energy: -87.015 flat angles P-C4'-P energy: -55.332 tors. eta vs tors. theta energy: 2.664 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: 10, replica: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -475.976230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.976230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.976230 (E_RNA) where: Base-Base interactions energy: -198.877 where: short stacking energy: -135.421 Base-Backbone interact. energy: 1.158 local terms energy: -278.256587 where: bonds (distance) C4'-P energy: -82.583 bonds (distance) P-C4' energy: -86.665 flat angles C4'-P-C4' energy: -99.724 flat angles P-C4'-P energy: -49.306 tors. eta vs tors. theta energy: 40.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2152.550695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.550695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.550695 (E_RNA) where: Base-Base interactions energy: -1493.838 where: short stacking energy: -609.336 Base-Backbone interact. energy: 0.010 local terms energy: -658.723250 where: bonds (distance) C4'-P energy: -122.423 bonds (distance) P-C4' energy: -124.107 flat angles C4'-P-C4' energy: -138.716 flat angles P-C4'-P energy: -93.874 tors. eta vs tors. theta energy: -179.604 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: 4 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2063.877936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.877936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.877936 (E_RNA) where: Base-Base interactions energy: -1413.153 where: short stacking energy: -594.057 Base-Backbone interact. energy: -2.212 local terms energy: -648.513373 where: bonds (distance) C4'-P energy: -118.860 bonds (distance) P-C4' energy: -107.932 flat angles C4'-P-C4' energy: -138.338 flat angles P-C4'-P energy: -97.090 tors. eta vs tors. theta energy: -186.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2007.142052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.142052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.142052 (E_RNA) where: Base-Base interactions energy: -1388.517 where: short stacking energy: -554.578 Base-Backbone interact. energy: -0.950 local terms energy: -617.675810 where: bonds (distance) C4'-P energy: -110.298 bonds (distance) P-C4' energy: -108.994 flat angles C4'-P-C4' energy: -139.745 flat angles P-C4'-P energy: -82.478 tors. eta vs tors. theta energy: -176.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1836.556578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.556578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.556578 (E_RNA) where: Base-Base interactions energy: -1210.641 where: short stacking energy: -526.416 Base-Backbone interact. energy: -0.593 local terms energy: -625.322278 where: bonds (distance) C4'-P energy: -108.844 bonds (distance) P-C4' energy: -123.211 flat angles C4'-P-C4' energy: -136.885 flat angles P-C4'-P energy: -93.896 tors. eta vs tors. theta energy: -162.486 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: 5 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1706.202581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.202581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.202581 (E_RNA) where: Base-Base interactions energy: -1181.190 where: short stacking energy: -493.388 Base-Backbone interact. energy: 0.160 local terms energy: -525.172493 where: bonds (distance) C4'-P energy: -92.510 bonds (distance) P-C4' energy: -113.119 flat angles C4'-P-C4' energy: -108.818 flat angles P-C4'-P energy: -70.442 tors. eta vs tors. theta energy: -140.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1553.203016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.203016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.203016 (E_RNA) where: Base-Base interactions energy: -1034.076 where: short stacking energy: -429.185 Base-Backbone interact. energy: 0.009 local terms energy: -519.136215 where: bonds (distance) C4'-P energy: -101.992 bonds (distance) P-C4' energy: -98.891 flat angles C4'-P-C4' energy: -116.912 flat angles P-C4'-P energy: -81.071 tors. eta vs tors. theta energy: -120.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1407.678990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.678990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.678990 (E_RNA) where: Base-Base interactions energy: -934.251 where: short stacking energy: -389.171 Base-Backbone interact. energy: 0.115 local terms energy: -473.543535 where: bonds (distance) C4'-P energy: -103.920 bonds (distance) P-C4' energy: -106.698 flat angles C4'-P-C4' energy: -103.731 flat angles P-C4'-P energy: -56.671 tors. eta vs tors. theta energy: -102.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1002.986252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.986252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.986252 (E_RNA) where: Base-Base interactions energy: -577.323 where: short stacking energy: -266.816 Base-Backbone interact. energy: -0.025 local terms energy: -425.637718 where: bonds (distance) C4'-P energy: -116.707 bonds (distance) P-C4' energy: -112.400 flat angles C4'-P-C4' energy: -114.778 flat angles P-C4'-P energy: -49.675 tors. eta vs tors. theta energy: -32.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -621.680679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.680679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.680679 (E_RNA) where: Base-Base interactions energy: -283.136 where: short stacking energy: -182.468 Base-Backbone interact. energy: 1.247 local terms energy: -339.791605 where: bonds (distance) C4'-P energy: -96.562 bonds (distance) P-C4' energy: -116.723 flat angles C4'-P-C4' energy: -91.347 flat angles P-C4'-P energy: -43.016 tors. eta vs tors. theta energy: 7.857 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: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -471.390932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.390932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.390932 (E_RNA) where: Base-Base interactions energy: -166.674 where: short stacking energy: -127.065 Base-Backbone interact. energy: 9.837 local terms energy: -314.553930 where: bonds (distance) C4'-P energy: -106.088 bonds (distance) P-C4' energy: -115.546 flat angles C4'-P-C4' energy: -96.541 flat angles P-C4'-P energy: -35.710 tors. eta vs tors. theta energy: 39.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2159.111407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.111407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.111407 (E_RNA) where: Base-Base interactions energy: -1508.908 where: short stacking energy: -616.308 Base-Backbone interact. energy: -2.566 local terms energy: -647.637438 where: bonds (distance) C4'-P energy: -102.290 bonds (distance) P-C4' energy: -120.184 flat angles C4'-P-C4' energy: -143.021 flat angles P-C4'-P energy: -102.761 tors. eta vs tors. theta energy: -179.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2053.886009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.886009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.886009 (E_RNA) where: Base-Base interactions energy: -1410.775 where: short stacking energy: -584.175 Base-Backbone interact. energy: -1.590 local terms energy: -641.520990 where: bonds (distance) C4'-P energy: -119.404 bonds (distance) P-C4' energy: -112.886 flat angles C4'-P-C4' energy: -133.051 flat angles P-C4'-P energy: -96.771 tors. eta vs tors. theta energy: -179.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1950.552168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.552168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.552168 (E_RNA) where: Base-Base interactions energy: -1360.616 where: short stacking energy: -539.762 Base-Backbone interact. energy: -3.833 local terms energy: -586.103330 where: bonds (distance) C4'-P energy: -129.523 bonds (distance) P-C4' energy: -103.542 flat angles C4'-P-C4' energy: -123.140 flat angles P-C4'-P energy: -66.396 tors. eta vs tors. theta energy: -163.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1828.773754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.773754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.773754 (E_RNA) where: Base-Base interactions energy: -1210.249 where: short stacking energy: -512.985 Base-Backbone interact. energy: -0.634 local terms energy: -617.890294 where: bonds (distance) C4'-P energy: -114.512 bonds (distance) P-C4' energy: -120.293 flat angles C4'-P-C4' energy: -137.539 flat angles P-C4'-P energy: -81.349 tors. eta vs tors. theta energy: -164.197 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: 5 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1691.283616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.283616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.283616 (E_RNA) where: Base-Base interactions energy: -1145.648 where: short stacking energy: -463.475 Base-Backbone interact. energy: -2.987 local terms energy: -542.647874 where: bonds (distance) C4'-P energy: -107.636 bonds (distance) P-C4' energy: -117.774 flat angles C4'-P-C4' energy: -118.281 flat angles P-C4'-P energy: -68.272 tors. eta vs tors. theta energy: -130.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1575.554109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.554109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.554109 (E_RNA) where: Base-Base interactions energy: -1053.212 where: short stacking energy: -451.856 Base-Backbone interact. energy: 1.279 local terms energy: -523.621188 where: bonds (distance) C4'-P energy: -107.658 bonds (distance) P-C4' energy: -110.907 flat angles C4'-P-C4' energy: -110.971 flat angles P-C4'-P energy: -83.748 tors. eta vs tors. theta energy: -110.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1394.772865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.772865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.772865 (E_RNA) where: Base-Base interactions energy: -895.164 where: short stacking energy: -377.244 Base-Backbone interact. energy: -2.129 local terms energy: -497.479785 where: bonds (distance) C4'-P energy: -106.223 bonds (distance) P-C4' energy: -100.876 flat angles C4'-P-C4' energy: -119.826 flat angles P-C4'-P energy: -72.189 tors. eta vs tors. theta energy: -98.366 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: 8, replica: 6 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -990.058181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.058181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.058181 (E_RNA) where: Base-Base interactions energy: -563.706 where: short stacking energy: -272.927 Base-Backbone interact. energy: -0.610 local terms energy: -425.741664 where: bonds (distance) C4'-P energy: -98.238 bonds (distance) P-C4' energy: -106.381 flat angles C4'-P-C4' energy: -102.656 flat angles P-C4'-P energy: -78.634 tors. eta vs tors. theta energy: -39.833 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: 9, replica: 8 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -624.891466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.891466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.891466 (E_RNA) where: Base-Base interactions energy: -274.101 where: short stacking energy: -171.900 Base-Backbone interact. energy: -2.000 local terms energy: -348.790376 where: bonds (distance) C4'-P energy: -96.792 bonds (distance) P-C4' energy: -95.197 flat angles C4'-P-C4' energy: -100.743 flat angles P-C4'-P energy: -44.466 tors. eta vs tors. theta energy: -11.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -458.620563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.620563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.620563 (E_RNA) where: Base-Base interactions energy: -174.535 where: short stacking energy: -107.340 Base-Backbone interact. energy: 5.535 local terms energy: -289.620369 where: bonds (distance) C4'-P energy: -90.044 bonds (distance) P-C4' energy: -115.552 flat angles C4'-P-C4' energy: -87.002 flat angles P-C4'-P energy: -32.678 tors. eta vs tors. theta energy: 35.657 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: 1, replica: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2139.100593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.100593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.100593 (E_RNA) where: Base-Base interactions energy: -1496.094 where: short stacking energy: -640.581 Base-Backbone interact. energy: 0.340 local terms energy: -643.346886 where: bonds (distance) C4'-P energy: -107.708 bonds (distance) P-C4' energy: -120.559 flat angles C4'-P-C4' energy: -136.971 flat angles P-C4'-P energy: -95.620 tors. eta vs tors. theta energy: -182.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2100.850307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.850307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.850307 (E_RNA) where: Base-Base interactions energy: -1439.786 where: short stacking energy: -580.080 Base-Backbone interact. energy: -3.398 local terms energy: -657.666489 where: bonds (distance) C4'-P energy: -123.396 bonds (distance) P-C4' energy: -124.213 flat angles C4'-P-C4' energy: -132.507 flat angles P-C4'-P energy: -96.225 tors. eta vs tors. theta energy: -181.325 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: 3, replica: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1970.724709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.724709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.724709 (E_RNA) where: Base-Base interactions energy: -1352.295 where: short stacking energy: -564.060 Base-Backbone interact. energy: -4.903 local terms energy: -613.527156 where: bonds (distance) C4'-P energy: -118.147 bonds (distance) P-C4' energy: -107.655 flat angles C4'-P-C4' energy: -136.444 flat angles P-C4'-P energy: -85.285 tors. eta vs tors. theta energy: -165.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1861.286664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.286664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.286664 (E_RNA) where: Base-Base interactions energy: -1248.918 where: short stacking energy: -540.555 Base-Backbone interact. energy: -2.539 local terms energy: -609.829035 where: bonds (distance) C4'-P energy: -108.266 bonds (distance) P-C4' energy: -118.135 flat angles C4'-P-C4' energy: -126.456 flat angles P-C4'-P energy: -97.129 tors. eta vs tors. theta energy: -159.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1697.035854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.035854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.035854 (E_RNA) where: Base-Base interactions energy: -1160.693 where: short stacking energy: -479.793 Base-Backbone interact. energy: 2.269 local terms energy: -538.612478 where: bonds (distance) C4'-P energy: -112.520 bonds (distance) P-C4' energy: -100.820 flat angles C4'-P-C4' energy: -109.688 flat angles P-C4'-P energy: -81.085 tors. eta vs tors. theta energy: -134.500 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: 3 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1650.453767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.453767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.453767 (E_RNA) where: Base-Base interactions energy: -1122.605 where: short stacking energy: -459.037 Base-Backbone interact. energy: -4.753 local terms energy: -523.095019 where: bonds (distance) C4'-P energy: -82.523 bonds (distance) P-C4' energy: -119.509 flat angles C4'-P-C4' energy: -129.008 flat angles P-C4'-P energy: -71.252 tors. eta vs tors. theta energy: -120.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1435.012894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.012894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.012894 (E_RNA) where: Base-Base interactions energy: -944.606 where: short stacking energy: -417.958 Base-Backbone interact. energy: 2.011 local terms energy: -492.418038 where: bonds (distance) C4'-P energy: -112.093 bonds (distance) P-C4' energy: -90.801 flat angles C4'-P-C4' energy: -97.850 flat angles P-C4'-P energy: -78.391 tors. eta vs tors. theta energy: -113.284 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: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -974.541754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.541754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.541754 (E_RNA) where: Base-Base interactions energy: -560.810 where: short stacking energy: -277.887 Base-Backbone interact. energy: -0.499 local terms energy: -413.231974 where: bonds (distance) C4'-P energy: -109.806 bonds (distance) P-C4' energy: -101.488 flat angles C4'-P-C4' energy: -96.453 flat angles P-C4'-P energy: -54.695 tors. eta vs tors. theta energy: -50.790 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: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -607.789719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.789719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.789719 (E_RNA) where: Base-Base interactions energy: -255.155 where: short stacking energy: -162.782 Base-Backbone interact. energy: -0.537 local terms energy: -352.098388 where: bonds (distance) C4'-P energy: -111.732 bonds (distance) P-C4' energy: -110.679 flat angles C4'-P-C4' energy: -92.255 flat angles P-C4'-P energy: -41.565 tors. eta vs tors. theta energy: 4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -439.169703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.169703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.169703 (E_RNA) where: Base-Base interactions energy: -139.332 where: short stacking energy: -115.907 Base-Backbone interact. energy: 1.441 local terms energy: -301.279004 where: bonds (distance) C4'-P energy: -109.030 bonds (distance) P-C4' energy: -110.169 flat angles C4'-P-C4' energy: -71.436 flat angles P-C4'-P energy: -41.927 tors. eta vs tors. theta energy: 31.283 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: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2153.882772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.882772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.882772 (E_RNA) where: Base-Base interactions energy: -1485.375 where: short stacking energy: -635.514 Base-Backbone interact. energy: -2.748 local terms energy: -665.759596 where: bonds (distance) C4'-P energy: -122.386 bonds (distance) P-C4' energy: -123.347 flat angles C4'-P-C4' energy: -140.209 flat angles P-C4'-P energy: -98.789 tors. eta vs tors. theta energy: -181.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2087.402947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.402947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.402947 (E_RNA) where: Base-Base interactions energy: -1408.917 where: short stacking energy: -578.615 Base-Backbone interact. energy: -0.358 local terms energy: -678.127554 where: bonds (distance) C4'-P energy: -122.551 bonds (distance) P-C4' energy: -138.106 flat angles C4'-P-C4' energy: -140.442 flat angles P-C4'-P energy: -91.289 tors. eta vs tors. theta energy: -185.740 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: 3, replica: 7 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1964.617501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.617501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.617501 (E_RNA) where: Base-Base interactions energy: -1364.312 where: short stacking energy: -568.687 Base-Backbone interact. energy: -1.635 local terms energy: -598.670852 where: bonds (distance) C4'-P energy: -107.988 bonds (distance) P-C4' energy: -100.354 flat angles C4'-P-C4' energy: -126.949 flat angles P-C4'-P energy: -81.485 tors. eta vs tors. theta energy: -181.895 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: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1788.459849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.459849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.459849 (E_RNA) where: Base-Base interactions energy: -1213.473 where: short stacking energy: -503.096 Base-Backbone interact. energy: -3.412 local terms energy: -571.575421 where: bonds (distance) C4'-P energy: -79.425 bonds (distance) P-C4' energy: -118.432 flat angles C4'-P-C4' energy: -132.316 flat angles P-C4'-P energy: -72.555 tors. eta vs tors. theta energy: -168.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1676.279747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.279747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.279747 (E_RNA) where: Base-Base interactions energy: -1128.167 where: short stacking energy: -448.670 Base-Backbone interact. energy: 2.624 local terms energy: -550.737178 where: bonds (distance) C4'-P energy: -109.764 bonds (distance) P-C4' energy: -107.424 flat angles C4'-P-C4' energy: -130.131 flat angles P-C4'-P energy: -71.689 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: 6, replica: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1685.109408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.109408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.109408 (E_RNA) where: Base-Base interactions energy: -1120.667 where: short stacking energy: -471.898 Base-Backbone interact. energy: -1.421 local terms energy: -563.021658 where: bonds (distance) C4'-P energy: -107.097 bonds (distance) P-C4' energy: -116.320 flat angles C4'-P-C4' energy: -125.506 flat angles P-C4'-P energy: -76.929 tors. eta vs tors. theta energy: -137.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1409.736727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.736727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.736727 (E_RNA) where: Base-Base interactions energy: -905.620 where: short stacking energy: -367.831 Base-Backbone interact. energy: -2.180 local terms energy: -501.937273 where: bonds (distance) C4'-P energy: -91.720 bonds (distance) P-C4' energy: -126.036 flat angles C4'-P-C4' energy: -105.736 flat angles P-C4'-P energy: -87.224 tors. eta vs tors. theta energy: -91.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -984.586574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.586574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.586574 (E_RNA) where: Base-Base interactions energy: -586.716 where: short stacking energy: -273.449 Base-Backbone interact. energy: -1.532 local terms energy: -396.337967 where: bonds (distance) C4'-P energy: -106.386 bonds (distance) P-C4' energy: -103.721 flat angles C4'-P-C4' energy: -100.438 flat angles P-C4'-P energy: -54.996 tors. eta vs tors. theta energy: -30.797 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: 425 Temperature: 1.300000 Total energy: -627.233370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.233370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.233370 (E_RNA) where: Base-Base interactions energy: -309.513 where: short stacking energy: -199.646 Base-Backbone interact. energy: 1.630 local terms energy: -319.350550 where: bonds (distance) C4'-P energy: -106.178 bonds (distance) P-C4' energy: -96.161 flat angles C4'-P-C4' energy: -86.647 flat angles P-C4'-P energy: -50.101 tors. eta vs tors. theta energy: 19.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -479.529780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.529780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.529780 (E_RNA) where: Base-Base interactions energy: -180.551 where: short stacking energy: -133.322 Base-Backbone interact. energy: 3.609 local terms energy: -302.587810 where: bonds (distance) C4'-P energy: -90.913 bonds (distance) P-C4' energy: -103.549 flat angles C4'-P-C4' energy: -84.294 flat angles P-C4'-P energy: -48.612 tors. eta vs tors. theta energy: 24.780 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: 1 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2174.799285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.799285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.799285 (E_RNA) where: Base-Base interactions energy: -1502.147 where: short stacking energy: -618.488 Base-Backbone interact. energy: 0.312 local terms energy: -672.963975 where: bonds (distance) C4'-P energy: -119.841 bonds (distance) P-C4' energy: -121.166 flat angles C4'-P-C4' energy: -145.478 flat angles P-C4'-P energy: -102.513 tors. eta vs tors. theta energy: -183.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2084.018342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.018342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.018342 (E_RNA) where: Base-Base interactions energy: -1445.283 where: short stacking energy: -605.535 Base-Backbone interact. energy: -1.192 local terms energy: -637.543310 where: bonds (distance) C4'-P energy: -119.801 bonds (distance) P-C4' energy: -113.465 flat angles C4'-P-C4' energy: -127.657 flat angles P-C4'-P energy: -90.724 tors. eta vs tors. theta energy: -185.896 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: 7 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2005.209924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.209924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.209924 (E_RNA) where: Base-Base interactions energy: -1357.928 where: short stacking energy: -571.126 Base-Backbone interact. energy: -1.489 local terms energy: -645.792932 where: bonds (distance) C4'-P energy: -116.463 bonds (distance) P-C4' energy: -119.334 flat angles C4'-P-C4' energy: -134.591 flat angles P-C4'-P energy: -99.452 tors. eta vs tors. theta energy: -175.953 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: 4, replica: 2 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1841.926735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.926735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.926735 (E_RNA) where: Base-Base interactions energy: -1193.241 where: short stacking energy: -540.165 Base-Backbone interact. energy: -0.498 local terms energy: -648.187028 where: bonds (distance) C4'-P energy: -124.252 bonds (distance) P-C4' energy: -120.991 flat angles C4'-P-C4' energy: -133.080 flat angles P-C4'-P energy: -93.749 tors. eta vs tors. theta energy: -176.115 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: 5 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1692.846055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.846055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.846055 (E_RNA) where: Base-Base interactions energy: -1108.317 where: short stacking energy: -484.375 Base-Backbone interact. energy: -1.824 local terms energy: -582.704587 where: bonds (distance) C4'-P energy: -116.568 bonds (distance) P-C4' energy: -116.079 flat angles C4'-P-C4' energy: -122.246 flat angles P-C4'-P energy: -80.699 tors. eta vs tors. theta energy: -147.113 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: 6, replica: 3 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1611.798096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.798096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.798096 (E_RNA) where: Base-Base interactions energy: -1073.144 where: short stacking energy: -444.973 Base-Backbone interact. energy: -1.874 local terms energy: -536.779480 where: bonds (distance) C4'-P energy: -104.231 bonds (distance) P-C4' energy: -110.735 flat angles C4'-P-C4' energy: -131.796 flat angles P-C4'-P energy: -69.990 tors. eta vs tors. theta energy: -120.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1362.575390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.575390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.575390 (E_RNA) where: Base-Base interactions energy: -897.361 where: short stacking energy: -383.995 Base-Backbone interact. energy: -0.806 local terms energy: -464.408263 where: bonds (distance) C4'-P energy: -100.944 bonds (distance) P-C4' energy: -91.018 flat angles C4'-P-C4' energy: -113.087 flat angles P-C4'-P energy: -66.301 tors. eta vs tors. theta energy: -93.059 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: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -952.902149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.902149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.902149 (E_RNA) where: Base-Base interactions energy: -569.238 where: short stacking energy: -277.958 Base-Backbone interact. energy: -3.368 local terms energy: -380.295674 where: bonds (distance) C4'-P energy: -106.919 bonds (distance) P-C4' energy: -107.161 flat angles C4'-P-C4' energy: -96.565 flat angles P-C4'-P energy: -51.175 tors. eta vs tors. theta energy: -18.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -628.768662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.768662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.768662 (E_RNA) where: Base-Base interactions energy: -271.391 where: short stacking energy: -149.894 Base-Backbone interact. energy: -0.653 local terms energy: -356.724549 where: bonds (distance) C4'-P energy: -98.682 bonds (distance) P-C4' energy: -110.921 flat angles C4'-P-C4' energy: -90.469 flat angles P-C4'-P energy: -58.227 tors. eta vs tors. theta energy: 1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -457.998707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.998707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.998707 (E_RNA) where: Base-Base interactions energy: -139.543 where: short stacking energy: -107.271 Base-Backbone interact. energy: -2.921 local terms energy: -315.534559 where: bonds (distance) C4'-P energy: -97.662 bonds (distance) P-C4' energy: -113.206 flat angles C4'-P-C4' energy: -80.982 flat angles P-C4'-P energy: -57.840 tors. eta vs tors. theta energy: 34.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2171.812959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.812959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.812959 (E_RNA) where: Base-Base interactions energy: -1511.443 where: short stacking energy: -639.763 Base-Backbone interact. energy: -0.690 local terms energy: -659.680270 where: bonds (distance) C4'-P energy: -116.904 bonds (distance) P-C4' energy: -123.274 flat angles C4'-P-C4' energy: -133.705 flat angles P-C4'-P energy: -100.122 tors. eta vs tors. theta energy: -185.676 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: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2057.161560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.161560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.161560 (E_RNA) where: Base-Base interactions energy: -1424.252 where: short stacking energy: -587.395 Base-Backbone interact. energy: -2.359 local terms energy: -630.550243 where: bonds (distance) C4'-P energy: -113.217 bonds (distance) P-C4' energy: -108.102 flat angles C4'-P-C4' energy: -130.884 flat angles P-C4'-P energy: -99.110 tors. eta vs tors. theta energy: -179.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2048.621864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.621864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.621864 (E_RNA) where: Base-Base interactions energy: -1396.988 where: short stacking energy: -579.550 Base-Backbone interact. energy: -0.884 local terms energy: -650.749356 where: bonds (distance) C4'-P energy: -103.987 bonds (distance) P-C4' energy: -124.952 flat angles C4'-P-C4' energy: -135.430 flat angles P-C4'-P energy: -96.056 tors. eta vs tors. theta energy: -190.324 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: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1824.488637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.488637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.488637 (E_RNA) where: Base-Base interactions energy: -1252.406 where: short stacking energy: -523.042 Base-Backbone interact. energy: -1.152 local terms energy: -570.930131 where: bonds (distance) C4'-P energy: -102.188 bonds (distance) P-C4' energy: -112.517 flat angles C4'-P-C4' energy: -117.226 flat angles P-C4'-P energy: -84.444 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: 5, replica: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1807.812170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.812170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.812170 (E_RNA) where: Base-Base interactions energy: -1233.784 where: short stacking energy: -523.269 Base-Backbone interact. energy: -0.071 local terms energy: -573.957438 where: bonds (distance) C4'-P energy: -109.907 bonds (distance) P-C4' energy: -117.562 flat angles C4'-P-C4' energy: -115.508 flat angles P-C4'-P energy: -75.348 tors. eta vs tors. theta energy: -155.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1617.879707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.879707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.879707 (E_RNA) where: Base-Base interactions energy: -1083.268 where: short stacking energy: -458.495 Base-Backbone interact. energy: -2.703 local terms energy: -531.907915 where: bonds (distance) C4'-P energy: -92.955 bonds (distance) P-C4' energy: -106.310 flat angles C4'-P-C4' energy: -128.609 flat angles P-C4'-P energy: -85.697 tors. eta vs tors. theta energy: -118.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1372.685646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.685646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.685646 (E_RNA) where: Base-Base interactions energy: -903.538 where: short stacking energy: -391.549 Base-Backbone interact. energy: 1.246 local terms energy: -470.392968 where: bonds (distance) C4'-P energy: -93.769 bonds (distance) P-C4' energy: -115.184 flat angles C4'-P-C4' energy: -105.670 flat angles P-C4'-P energy: -59.893 tors. eta vs tors. theta energy: -95.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -968.968640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.968640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.968640 (E_RNA) where: Base-Base interactions energy: -577.379 where: short stacking energy: -276.763 Base-Backbone interact. energy: 1.139 local terms energy: -392.729086 where: bonds (distance) C4'-P energy: -84.657 bonds (distance) P-C4' energy: -109.947 flat angles C4'-P-C4' energy: -90.991 flat angles P-C4'-P energy: -59.077 tors. eta vs tors. theta energy: -48.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -644.974902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.974902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.974902 (E_RNA) where: Base-Base interactions energy: -297.188 where: short stacking energy: -200.327 Base-Backbone interact. energy: -0.185 local terms energy: -347.602485 where: bonds (distance) C4'-P energy: -98.247 bonds (distance) P-C4' energy: -98.919 flat angles C4'-P-C4' energy: -103.193 flat angles P-C4'-P energy: -54.655 tors. eta vs tors. theta energy: 7.412 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: 9 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -493.734582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.734582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.734582 (E_RNA) where: Base-Base interactions energy: -190.967 where: short stacking energy: -147.648 Base-Backbone interact. energy: -2.498 local terms energy: -300.270020 where: bonds (distance) C4'-P energy: -93.106 bonds (distance) P-C4' energy: -104.387 flat angles C4'-P-C4' energy: -76.929 flat angles P-C4'-P energy: -50.889 tors. eta vs tors. theta energy: 25.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2188.293061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.293061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.293061 (E_RNA) where: Base-Base interactions energy: -1509.891 where: short stacking energy: -649.317 Base-Backbone interact. energy: -0.915 local terms energy: -677.487588 where: bonds (distance) C4'-P energy: -132.076 bonds (distance) P-C4' energy: -116.325 flat angles C4'-P-C4' energy: -135.820 flat angles P-C4'-P energy: -97.794 tors. eta vs tors. theta energy: -195.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2098.806379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.806379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.806379 (E_RNA) where: Base-Base interactions energy: -1429.352 where: short stacking energy: -601.947 Base-Backbone interact. energy: -3.977 local terms energy: -665.477349 where: bonds (distance) C4'-P energy: -127.833 bonds (distance) P-C4' energy: -124.771 flat angles C4'-P-C4' energy: -139.748 flat angles P-C4'-P energy: -84.007 tors. eta vs tors. theta energy: -189.118 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: 4 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2048.798021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.798021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.798021 (E_RNA) where: Base-Base interactions energy: -1411.967 where: short stacking energy: -592.303 Base-Backbone interact. energy: -0.337 local terms energy: -636.494524 where: bonds (distance) C4'-P energy: -102.393 bonds (distance) P-C4' energy: -113.202 flat angles C4'-P-C4' energy: -135.750 flat angles P-C4'-P energy: -90.277 tors. eta vs tors. theta energy: -194.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1830.605239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.605239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.605239 (E_RNA) where: Base-Base interactions energy: -1242.785 where: short stacking energy: -541.035 Base-Backbone interact. energy: -1.582 local terms energy: -586.238738 where: bonds (distance) C4'-P energy: -116.673 bonds (distance) P-C4' energy: -100.373 flat angles C4'-P-C4' energy: -129.864 flat angles P-C4'-P energy: -78.473 tors. eta vs tors. theta energy: -160.854 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: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1773.683661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.683661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.683661 (E_RNA) where: Base-Base interactions energy: -1196.603 where: short stacking energy: -530.245 Base-Backbone interact. energy: -1.317 local terms energy: -575.763490 where: bonds (distance) C4'-P energy: -82.786 bonds (distance) P-C4' energy: -114.850 flat angles C4'-P-C4' energy: -130.913 flat angles P-C4'-P energy: -82.416 tors. eta vs tors. theta energy: -164.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1654.017040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.017040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.017040 (E_RNA) where: Base-Base interactions energy: -1100.266 where: short stacking energy: -488.295 Base-Backbone interact. energy: -2.263 local terms energy: -551.488401 where: bonds (distance) C4'-P energy: -100.874 bonds (distance) P-C4' energy: -117.015 flat angles C4'-P-C4' energy: -111.626 flat angles P-C4'-P energy: -72.942 tors. eta vs tors. theta energy: -149.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1324.674959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.674959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.674959 (E_RNA) where: Base-Base interactions energy: -876.486 where: short stacking energy: -374.248 Base-Backbone interact. energy: -1.257 local terms energy: -446.932167 where: bonds (distance) C4'-P energy: -100.597 bonds (distance) P-C4' energy: -101.143 flat angles C4'-P-C4' energy: -97.500 flat angles P-C4'-P energy: -57.455 tors. eta vs tors. theta energy: -90.238 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: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -961.365374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.365374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.365374 (E_RNA) where: Base-Base interactions energy: -544.774 where: short stacking energy: -261.751 Base-Backbone interact. energy: -0.014 local terms energy: -416.576589 where: bonds (distance) C4'-P energy: -103.795 bonds (distance) P-C4' energy: -115.850 flat angles C4'-P-C4' energy: -106.740 flat angles P-C4'-P energy: -48.673 tors. eta vs tors. theta energy: -41.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -692.952289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.952289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.952289 (E_RNA) where: Base-Base interactions energy: -349.265 where: short stacking energy: -204.957 Base-Backbone interact. energy: 0.703 local terms energy: -344.390317 where: bonds (distance) C4'-P energy: -97.312 bonds (distance) P-C4' energy: -80.092 flat angles C4'-P-C4' energy: -106.476 flat angles P-C4'-P energy: -49.400 tors. eta vs tors. theta energy: -11.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -457.412526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.412526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.412526 (E_RNA) where: Base-Base interactions energy: -174.698 where: short stacking energy: -100.371 Base-Backbone interact. energy: 3.407 local terms energy: -286.121172 where: bonds (distance) C4'-P energy: -95.275 bonds (distance) P-C4' energy: -112.787 flat angles C4'-P-C4' energy: -71.488 flat angles P-C4'-P energy: -57.466 tors. eta vs tors. theta energy: 50.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2168.447616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.447616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.447616 (E_RNA) where: Base-Base interactions energy: -1483.639 where: short stacking energy: -611.145 Base-Backbone interact. energy: -2.025 local terms energy: -682.783696 where: bonds (distance) C4'-P energy: -116.890 bonds (distance) P-C4' energy: -127.501 flat angles C4'-P-C4' energy: -148.142 flat angles P-C4'-P energy: -105.067 tors. eta vs tors. theta energy: -185.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2117.249305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.249305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.249305 (E_RNA) where: Base-Base interactions energy: -1444.820 where: short stacking energy: -579.724 Base-Backbone interact. energy: -3.076 local terms energy: -669.353222 where: bonds (distance) C4'-P energy: -120.247 bonds (distance) P-C4' energy: -121.076 flat angles C4'-P-C4' energy: -133.141 flat angles P-C4'-P energy: -90.443 tors. eta vs tors. theta energy: -204.446 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: 7 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2046.046778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.046778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.046778 (E_RNA) where: Base-Base interactions energy: -1387.906 where: short stacking energy: -594.674 Base-Backbone interact. energy: 1.464 local terms energy: -659.605539 where: bonds (distance) C4'-P energy: -122.418 bonds (distance) P-C4' energy: -121.252 flat angles C4'-P-C4' energy: -149.219 flat angles P-C4'-P energy: -75.259 tors. eta vs tors. theta energy: -191.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1788.830196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.830196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.830196 (E_RNA) where: Base-Base interactions energy: -1205.900 where: short stacking energy: -507.834 Base-Backbone interact. energy: 0.019 local terms energy: -582.949551 where: bonds (distance) C4'-P energy: -108.299 bonds (distance) P-C4' energy: -105.910 flat angles C4'-P-C4' energy: -132.840 flat angles P-C4'-P energy: -83.191 tors. eta vs tors. theta energy: -152.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1779.429593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.429593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.429593 (E_RNA) where: Base-Base interactions energy: -1171.288 where: short stacking energy: -526.710 Base-Backbone interact. energy: -2.627 local terms energy: -605.515104 where: bonds (distance) C4'-P energy: -110.344 bonds (distance) P-C4' energy: -124.005 flat angles C4'-P-C4' energy: -121.208 flat angles P-C4'-P energy: -88.655 tors. eta vs tors. theta energy: -161.303 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: 3 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1683.732043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.732043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.732043 (E_RNA) where: Base-Base interactions energy: -1147.185 where: short stacking energy: -492.867 Base-Backbone interact. energy: -0.620 local terms energy: -535.926543 where: bonds (distance) C4'-P energy: -87.020 bonds (distance) P-C4' energy: -104.711 flat angles C4'-P-C4' energy: -122.591 flat angles P-C4'-P energy: -79.075 tors. eta vs tors. theta energy: -142.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1373.944266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.944266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.944266 (E_RNA) where: Base-Base interactions energy: -891.775 where: short stacking energy: -388.589 Base-Backbone interact. energy: 0.048 local terms energy: -482.218038 where: bonds (distance) C4'-P energy: -111.062 bonds (distance) P-C4' energy: -92.616 flat angles C4'-P-C4' energy: -117.482 flat angles P-C4'-P energy: -69.618 tors. eta vs tors. theta energy: -91.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -974.045952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.045952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.045952 (E_RNA) where: Base-Base interactions energy: -590.453 where: short stacking energy: -290.581 Base-Backbone interact. energy: 3.332 local terms energy: -386.925099 where: bonds (distance) C4'-P energy: -95.623 bonds (distance) P-C4' energy: -108.926 flat angles C4'-P-C4' energy: -108.042 flat angles P-C4'-P energy: -48.170 tors. eta vs tors. theta energy: -26.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -702.621776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.621776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.621776 (E_RNA) where: Base-Base interactions energy: -358.763 where: short stacking energy: -201.195 Base-Backbone interact. energy: 1.012 local terms energy: -344.870161 where: bonds (distance) C4'-P energy: -106.993 bonds (distance) P-C4' energy: -112.278 flat angles C4'-P-C4' energy: -83.136 flat angles P-C4'-P energy: -44.444 tors. eta vs tors. theta energy: 1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -454.351139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.351139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.351139 (E_RNA) where: Base-Base interactions energy: -163.444 where: short stacking energy: -109.786 Base-Backbone interact. energy: -4.288 local terms energy: -286.619174 where: bonds (distance) C4'-P energy: -91.607 bonds (distance) P-C4' energy: -108.791 flat angles C4'-P-C4' energy: -69.111 flat angles P-C4'-P energy: -45.063 tors. eta vs tors. theta energy: 27.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2167.525299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.525299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.525299 (E_RNA) where: Base-Base interactions energy: -1478.390 where: short stacking energy: -614.496 Base-Backbone interact. energy: -3.450 local terms energy: -685.685358 where: bonds (distance) C4'-P energy: -124.623 bonds (distance) P-C4' energy: -135.456 flat angles C4'-P-C4' energy: -140.011 flat angles P-C4'-P energy: -100.867 tors. eta vs tors. theta energy: -184.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2101.851563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.851563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.851563 (E_RNA) where: Base-Base interactions energy: -1462.987 where: short stacking energy: -607.713 Base-Backbone interact. energy: -2.716 local terms energy: -636.149016 where: bonds (distance) C4'-P energy: -113.695 bonds (distance) P-C4' energy: -114.810 flat angles C4'-P-C4' energy: -128.607 flat angles P-C4'-P energy: -101.771 tors. eta vs tors. theta energy: -177.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2028.179466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.179466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.179466 (E_RNA) where: Base-Base interactions energy: -1402.618 where: short stacking energy: -575.401 Base-Backbone interact. energy: -2.986 local terms energy: -622.575000 where: bonds (distance) C4'-P energy: -114.974 bonds (distance) P-C4' energy: -101.022 flat angles C4'-P-C4' energy: -128.638 flat angles P-C4'-P energy: -93.044 tors. eta vs tors. theta energy: -184.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1794.664487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.664487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.664487 (E_RNA) where: Base-Base interactions energy: -1205.926 where: short stacking energy: -513.419 Base-Backbone interact. energy: -1.731 local terms energy: -587.007564 where: bonds (distance) C4'-P energy: -114.512 bonds (distance) P-C4' energy: -121.585 flat angles C4'-P-C4' energy: -123.775 flat angles P-C4'-P energy: -73.657 tors. eta vs tors. theta energy: -153.478 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: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1806.428764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.428764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.428764 (E_RNA) where: Base-Base interactions energy: -1205.482 where: short stacking energy: -534.455 Base-Backbone interact. energy: -0.086 local terms energy: -600.861370 where: bonds (distance) C4'-P energy: -105.816 bonds (distance) P-C4' energy: -116.058 flat angles C4'-P-C4' energy: -130.726 flat angles P-C4'-P energy: -84.687 tors. eta vs tors. theta energy: -163.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1608.978079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.978079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.978079 (E_RNA) where: Base-Base interactions energy: -1092.063 where: short stacking energy: -457.936 Base-Backbone interact. energy: -2.922 local terms energy: -513.992993 where: bonds (distance) C4'-P energy: -77.763 bonds (distance) P-C4' energy: -108.315 flat angles C4'-P-C4' energy: -118.645 flat angles P-C4'-P energy: -74.351 tors. eta vs tors. theta energy: -134.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1307.750440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.750440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.750440 (E_RNA) where: Base-Base interactions energy: -841.253 where: short stacking energy: -360.758 Base-Backbone interact. energy: -3.655 local terms energy: -462.842225 where: bonds (distance) C4'-P energy: -92.524 bonds (distance) P-C4' energy: -113.142 flat angles C4'-P-C4' energy: -112.641 flat angles P-C4'-P energy: -64.201 tors. eta vs tors. theta energy: -80.334 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: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -978.320690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.320690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.320690 (E_RNA) where: Base-Base interactions energy: -561.814 where: short stacking energy: -292.042 Base-Backbone interact. energy: -1.810 local terms energy: -414.697305 where: bonds (distance) C4'-P energy: -105.125 bonds (distance) P-C4' energy: -110.225 flat angles C4'-P-C4' energy: -89.749 flat angles P-C4'-P energy: -50.902 tors. eta vs tors. theta energy: -58.696 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: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -688.338822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.338822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.338822 (E_RNA) where: Base-Base interactions energy: -351.407 where: short stacking energy: -185.452 Base-Backbone interact. energy: -0.919 local terms energy: -336.012504 where: bonds (distance) C4'-P energy: -95.179 bonds (distance) P-C4' energy: -122.763 flat angles C4'-P-C4' energy: -89.950 flat angles P-C4'-P energy: -43.567 tors. eta vs tors. theta energy: 15.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -536.010165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.010165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.010165 (E_RNA) where: Base-Base interactions energy: -212.509 where: short stacking energy: -129.037 Base-Backbone interact. energy: -1.053 local terms energy: -322.448016 where: bonds (distance) C4'-P energy: -92.176 bonds (distance) P-C4' energy: -109.194 flat angles C4'-P-C4' energy: -88.742 flat angles P-C4'-P energy: -58.940 tors. eta vs tors. theta energy: 26.604 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: 1, replica: 1 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2147.354942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.354942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.354942 (E_RNA) where: Base-Base interactions energy: -1476.381 where: short stacking energy: -617.033 Base-Backbone interact. energy: -3.501 local terms energy: -667.472249 where: bonds (distance) C4'-P energy: -119.368 bonds (distance) P-C4' energy: -122.838 flat angles C4'-P-C4' energy: -136.414 flat angles P-C4'-P energy: -102.554 tors. eta vs tors. theta energy: -186.299 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: 7 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2023.899515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.899515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.899515 (E_RNA) where: Base-Base interactions energy: -1394.245 where: short stacking energy: -583.259 Base-Backbone interact. energy: -2.045 local terms energy: -627.609569 where: bonds (distance) C4'-P energy: -110.040 bonds (distance) P-C4' energy: -124.291 flat angles C4'-P-C4' energy: -123.981 flat angles P-C4'-P energy: -85.016 tors. eta vs tors. theta energy: -184.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2050.159209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.159209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.159209 (E_RNA) where: Base-Base interactions energy: -1424.208 where: short stacking energy: -581.767 Base-Backbone interact. energy: -0.470 local terms energy: -625.481328 where: bonds (distance) C4'-P energy: -113.713 bonds (distance) P-C4' energy: -115.323 flat angles C4'-P-C4' energy: -132.827 flat angles P-C4'-P energy: -82.799 tors. eta vs tors. theta energy: -180.819 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: 5 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1802.301095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.301095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.301095 (E_RNA) where: Base-Base interactions energy: -1221.814 where: short stacking energy: -514.852 Base-Backbone interact. energy: -1.653 local terms energy: -578.834321 where: bonds (distance) C4'-P energy: -120.665 bonds (distance) P-C4' energy: -107.876 flat angles C4'-P-C4' energy: -127.071 flat angles P-C4'-P energy: -68.581 tors. eta vs tors. theta energy: -154.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1819.046565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.046565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.046565 (E_RNA) where: Base-Base interactions energy: -1228.746 where: short stacking energy: -523.223 Base-Backbone interact. energy: 0.151 local terms energy: -590.451348 where: bonds (distance) C4'-P energy: -113.842 bonds (distance) P-C4' energy: -103.493 flat angles C4'-P-C4' energy: -126.639 flat angles P-C4'-P energy: -86.087 tors. eta vs tors. theta energy: -160.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1642.941868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.941868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.941868 (E_RNA) where: Base-Base interactions energy: -1122.835 where: short stacking energy: -450.792 Base-Backbone interact. energy: -2.490 local terms energy: -517.617189 where: bonds (distance) C4'-P energy: -100.992 bonds (distance) P-C4' energy: -95.662 flat angles C4'-P-C4' energy: -126.165 flat angles P-C4'-P energy: -69.492 tors. eta vs tors. theta energy: -125.306 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: 10 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1405.139326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.139326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.139326 (E_RNA) where: Base-Base interactions energy: -887.108 where: short stacking energy: -387.281 Base-Backbone interact. energy: -1.259 local terms energy: -516.772367 where: bonds (distance) C4'-P energy: -102.511 bonds (distance) P-C4' energy: -120.710 flat angles C4'-P-C4' energy: -115.453 flat angles P-C4'-P energy: -78.535 tors. eta vs tors. theta energy: -99.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1013.208820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.208820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.208820 (E_RNA) where: Base-Base interactions energy: -615.534 where: short stacking energy: -265.035 Base-Backbone interact. energy: -3.281 local terms energy: -394.394075 where: bonds (distance) C4'-P energy: -92.422 bonds (distance) P-C4' energy: -105.664 flat angles C4'-P-C4' energy: -104.198 flat angles P-C4'-P energy: -61.509 tors. eta vs tors. theta energy: -30.601 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: 8 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -661.062546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.062546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.062546 (E_RNA) where: Base-Base interactions energy: -299.256 where: short stacking energy: -177.575 Base-Backbone interact. energy: -0.314 local terms energy: -361.492079 where: bonds (distance) C4'-P energy: -96.896 bonds (distance) P-C4' energy: -103.573 flat angles C4'-P-C4' energy: -110.661 flat angles P-C4'-P energy: -69.635 tors. eta vs tors. theta energy: 19.273 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: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -460.055514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.055514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.055514 (E_RNA) where: Base-Base interactions energy: -152.242 where: short stacking energy: -121.495 Base-Backbone interact. energy: 0.587 local terms energy: -308.400643 where: bonds (distance) C4'-P energy: -107.752 bonds (distance) P-C4' energy: -106.727 flat angles C4'-P-C4' energy: -72.480 flat angles P-C4'-P energy: -44.517 tors. eta vs tors. theta energy: 23.076 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: 1, replica: 1 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2159.116203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.116203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.116203 (E_RNA) where: Base-Base interactions energy: -1488.004 where: short stacking energy: -634.394 Base-Backbone interact. energy: -2.661 local terms energy: -668.451181 where: bonds (distance) C4'-P energy: -111.816 bonds (distance) P-C4' energy: -136.563 flat angles C4'-P-C4' energy: -143.532 flat angles P-C4'-P energy: -87.050 tors. eta vs tors. theta energy: -189.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2009.802369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.802369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.802369 (E_RNA) where: Base-Base interactions energy: -1367.740 where: short stacking energy: -583.980 Base-Backbone interact. energy: -2.969 local terms energy: -639.093454 where: bonds (distance) C4'-P energy: -119.811 bonds (distance) P-C4' energy: -120.796 flat angles C4'-P-C4' energy: -142.209 flat angles P-C4'-P energy: -80.025 tors. eta vs tors. theta energy: -176.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2042.606004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.606004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.606004 (E_RNA) where: Base-Base interactions energy: -1383.497 where: short stacking energy: -592.525 Base-Backbone interact. energy: -3.849 local terms energy: -655.260763 where: bonds (distance) C4'-P energy: -114.279 bonds (distance) P-C4' energy: -121.952 flat angles C4'-P-C4' energy: -135.586 flat angles P-C4'-P energy: -94.879 tors. eta vs tors. theta energy: -188.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1812.739060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.739060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.739060 (E_RNA) where: Base-Base interactions energy: -1229.849 where: short stacking energy: -504.644 Base-Backbone interact. energy: -1.524 local terms energy: -581.366137 where: bonds (distance) C4'-P energy: -122.982 bonds (distance) P-C4' energy: -104.145 flat angles C4'-P-C4' energy: -133.417 flat angles P-C4'-P energy: -84.023 tors. eta vs tors. theta energy: -136.800 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: 5, replica: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1795.880949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.880949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.880949 (E_RNA) where: Base-Base interactions energy: -1223.587 where: short stacking energy: -515.270 Base-Backbone interact. energy: -1.503 local terms energy: -570.791519 where: bonds (distance) C4'-P energy: -98.932 bonds (distance) P-C4' energy: -116.354 flat angles C4'-P-C4' energy: -123.417 flat angles P-C4'-P energy: -79.817 tors. eta vs tors. theta energy: -152.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1657.110547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.110547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.110547 (E_RNA) where: Base-Base interactions energy: -1109.479 where: short stacking energy: -454.963 Base-Backbone interact. energy: -0.878 local terms energy: -546.753778 where: bonds (distance) C4'-P energy: -116.017 bonds (distance) P-C4' energy: -118.879 flat angles C4'-P-C4' energy: -110.190 flat angles P-C4'-P energy: -71.337 tors. eta vs tors. theta energy: -130.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1328.681640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.681640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.681640 (E_RNA) where: Base-Base interactions energy: -854.950 where: short stacking energy: -370.583 Base-Backbone interact. energy: 5.341 local terms energy: -479.072419 where: bonds (distance) C4'-P energy: -94.271 bonds (distance) P-C4' energy: -109.671 flat angles C4'-P-C4' energy: -102.782 flat angles P-C4'-P energy: -76.318 tors. eta vs tors. theta energy: -96.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1033.365607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.365607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.365607 (E_RNA) where: Base-Base interactions energy: -606.255 where: short stacking energy: -276.510 Base-Backbone interact. energy: -1.915 local terms energy: -425.195448 where: bonds (distance) C4'-P energy: -110.037 bonds (distance) P-C4' energy: -99.986 flat angles C4'-P-C4' energy: -107.918 flat angles P-C4'-P energy: -60.356 tors. eta vs tors. theta energy: -46.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -653.000038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.000038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.000038 (E_RNA) where: Base-Base interactions energy: -329.087 where: short stacking energy: -197.299 Base-Backbone interact. energy: -2.959 local terms energy: -320.954974 where: bonds (distance) C4'-P energy: -81.105 bonds (distance) P-C4' energy: -101.245 flat angles C4'-P-C4' energy: -94.028 flat angles P-C4'-P energy: -47.550 tors. eta vs tors. theta energy: 2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -484.791839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.791839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.791839 (E_RNA) where: Base-Base interactions energy: -166.009 where: short stacking energy: -116.536 Base-Backbone interact. energy: 1.839 local terms energy: -320.621806 where: bonds (distance) C4'-P energy: -95.905 bonds (distance) P-C4' energy: -100.813 flat angles C4'-P-C4' energy: -90.390 flat angles P-C4'-P energy: -57.085 tors. eta vs tors. theta energy: 23.572 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: 1, replica: 1 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2162.435588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.435588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.435588 (E_RNA) where: Base-Base interactions energy: -1496.206 where: short stacking energy: -615.813 Base-Backbone interact. energy: 2.822 local terms energy: -669.051688 where: bonds (distance) C4'-P energy: -128.533 bonds (distance) P-C4' energy: -114.837 flat angles C4'-P-C4' energy: -141.358 flat angles P-C4'-P energy: -98.278 tors. eta vs tors. theta energy: -186.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2075.067912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.067912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.067912 (E_RNA) where: Base-Base interactions energy: -1392.042 where: short stacking energy: -573.739 Base-Backbone interact. energy: -1.806 local terms energy: -681.220464 where: bonds (distance) C4'-P energy: -131.759 bonds (distance) P-C4' energy: -128.801 flat angles C4'-P-C4' energy: -131.028 flat angles P-C4'-P energy: -100.526 tors. eta vs tors. theta energy: -189.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1982.090773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.090773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.090773 (E_RNA) where: Base-Base interactions energy: -1362.565 where: short stacking energy: -566.655 Base-Backbone interact. energy: -2.387 local terms energy: -617.137931 where: bonds (distance) C4'-P energy: -111.332 bonds (distance) P-C4' energy: -105.646 flat angles C4'-P-C4' energy: -141.416 flat angles P-C4'-P energy: -87.697 tors. eta vs tors. theta energy: -171.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1806.914610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.914610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.914610 (E_RNA) where: Base-Base interactions energy: -1198.684 where: short stacking energy: -526.015 Base-Backbone interact. energy: -0.022 local terms energy: -608.208679 where: bonds (distance) C4'-P energy: -105.226 bonds (distance) P-C4' energy: -119.655 flat angles C4'-P-C4' energy: -131.585 flat angles P-C4'-P energy: -81.355 tors. eta vs tors. theta energy: -170.389 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: 433 Temperature: 1.100000 Total energy: -1751.492169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.492169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.492169 (E_RNA) where: Base-Base interactions energy: -1186.312 where: short stacking energy: -481.073 Base-Backbone interact. energy: -0.774 local terms energy: -564.406677 where: bonds (distance) C4'-P energy: -116.154 bonds (distance) P-C4' energy: -121.652 flat angles C4'-P-C4' energy: -122.780 flat angles P-C4'-P energy: -73.060 tors. eta vs tors. theta energy: -130.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1612.909906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.909906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.909906 (E_RNA) where: Base-Base interactions energy: -1076.173 where: short stacking energy: -454.144 Base-Backbone interact. energy: 4.129 local terms energy: -540.866575 where: bonds (distance) C4'-P energy: -108.870 bonds (distance) P-C4' energy: -122.160 flat angles C4'-P-C4' energy: -118.230 flat angles P-C4'-P energy: -73.689 tors. eta vs tors. theta energy: -117.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1356.027485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.027485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.027485 (E_RNA) where: Base-Base interactions energy: -899.711 where: short stacking energy: -376.179 Base-Backbone interact. energy: 2.988 local terms energy: -459.303883 where: bonds (distance) C4'-P energy: -110.793 bonds (distance) P-C4' energy: -118.825 flat angles C4'-P-C4' energy: -95.451 flat angles P-C4'-P energy: -54.710 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: 8, replica: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -994.921796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.921796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.921796 (E_RNA) where: Base-Base interactions energy: -615.241 where: short stacking energy: -270.602 Base-Backbone interact. energy: -3.615 local terms energy: -376.066564 where: bonds (distance) C4'-P energy: -98.567 bonds (distance) P-C4' energy: -106.641 flat angles C4'-P-C4' energy: -96.754 flat angles P-C4'-P energy: -44.642 tors. eta vs tors. theta energy: -29.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -655.265459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.265459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.265459 (E_RNA) where: Base-Base interactions energy: -291.463 where: short stacking energy: -190.216 Base-Backbone interact. energy: -0.708 local terms energy: -363.093720 where: bonds (distance) C4'-P energy: -89.152 bonds (distance) P-C4' energy: -108.882 flat angles C4'-P-C4' energy: -100.138 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: -17.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -498.388731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.388731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.388731 (E_RNA) where: Base-Base interactions energy: -193.649 where: short stacking energy: -148.641 Base-Backbone interact. energy: -3.000 local terms energy: -301.739148 where: bonds (distance) C4'-P energy: -87.702 bonds (distance) P-C4' energy: -100.772 flat angles C4'-P-C4' energy: -95.945 flat angles P-C4'-P energy: -32.165 tors. eta vs tors. theta energy: 14.845 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: 1 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2172.346879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.346879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.346879 (E_RNA) where: Base-Base interactions energy: -1490.569 where: short stacking energy: -617.148 Base-Backbone interact. energy: -3.611 local terms energy: -678.167851 where: bonds (distance) C4'-P energy: -126.373 bonds (distance) P-C4' energy: -111.396 flat angles C4'-P-C4' energy: -150.632 flat angles P-C4'-P energy: -103.470 tors. eta vs tors. theta energy: -186.296 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: 4 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2086.660766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.660766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.660766 (E_RNA) where: Base-Base interactions energy: -1426.297 where: short stacking energy: -590.176 Base-Backbone interact. energy: -2.475 local terms energy: -657.888036 where: bonds (distance) C4'-P energy: -111.140 bonds (distance) P-C4' energy: -123.859 flat angles C4'-P-C4' energy: -132.566 flat angles P-C4'-P energy: -104.793 tors. eta vs tors. theta energy: -185.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1966.185997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.185997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.185997 (E_RNA) where: Base-Base interactions energy: -1355.468 where: short stacking energy: -545.117 Base-Backbone interact. energy: -2.663 local terms energy: -608.054748 where: bonds (distance) C4'-P energy: -100.501 bonds (distance) P-C4' energy: -101.327 flat angles C4'-P-C4' energy: -143.325 flat angles P-C4'-P energy: -85.646 tors. eta vs tors. theta energy: -177.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1844.382710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.382710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.382710 (E_RNA) where: Base-Base interactions energy: -1245.644 where: short stacking energy: -569.639 Base-Backbone interact. energy: -0.978 local terms energy: -597.760266 where: bonds (distance) C4'-P energy: -101.644 bonds (distance) P-C4' energy: -120.543 flat angles C4'-P-C4' energy: -127.442 flat angles P-C4'-P energy: -84.157 tors. eta vs tors. theta energy: -163.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1734.083105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.083105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.083105 (E_RNA) where: Base-Base interactions energy: -1189.754 where: short stacking energy: -470.310 Base-Backbone interact. energy: -1.503 local terms energy: -542.826894 where: bonds (distance) C4'-P energy: -107.968 bonds (distance) P-C4' energy: -117.806 flat angles C4'-P-C4' energy: -106.031 flat angles P-C4'-P energy: -78.639 tors. eta vs tors. theta energy: -132.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1625.788991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.788991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.788991 (E_RNA) where: Base-Base interactions energy: -1118.167 where: short stacking energy: -447.946 Base-Backbone interact. energy: 5.469 local terms energy: -513.091302 where: bonds (distance) C4'-P energy: -100.073 bonds (distance) P-C4' energy: -95.434 flat angles C4'-P-C4' energy: -111.037 flat angles P-C4'-P energy: -78.024 tors. eta vs tors. theta energy: -128.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1341.231324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.231324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.231324 (E_RNA) where: Base-Base interactions energy: -858.784 where: short stacking energy: -381.187 Base-Backbone interact. energy: 13.844 local terms energy: -496.291490 where: bonds (distance) C4'-P energy: -105.141 bonds (distance) P-C4' energy: -132.401 flat angles C4'-P-C4' energy: -104.480 flat angles P-C4'-P energy: -69.027 tors. eta vs tors. theta energy: -85.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1021.606362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.606362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.606362 (E_RNA) where: Base-Base interactions energy: -606.110 where: short stacking energy: -288.322 Base-Backbone interact. energy: -2.713 local terms energy: -412.783345 where: bonds (distance) C4'-P energy: -106.509 bonds (distance) P-C4' energy: -103.634 flat angles C4'-P-C4' energy: -101.523 flat angles P-C4'-P energy: -49.751 tors. eta vs tors. theta energy: -51.367 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: 8 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -689.523362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.523362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.523362 (E_RNA) where: Base-Base interactions energy: -318.510 where: short stacking energy: -194.309 Base-Backbone interact. energy: -0.103 local terms energy: -370.910209 where: bonds (distance) C4'-P energy: -113.210 bonds (distance) P-C4' energy: -98.791 flat angles C4'-P-C4' energy: -98.612 flat angles P-C4'-P energy: -61.487 tors. eta vs tors. theta energy: 1.190 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: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -465.914167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.914167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.914167 (E_RNA) where: Base-Base interactions energy: -168.186 where: short stacking energy: -128.215 Base-Backbone interact. energy: 2.798 local terms energy: -300.526252 where: bonds (distance) C4'-P energy: -100.079 bonds (distance) P-C4' energy: -93.376 flat angles C4'-P-C4' energy: -99.408 flat angles P-C4'-P energy: -30.074 tors. eta vs tors. theta energy: 22.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2161.723377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.723377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.723377 (E_RNA) where: Base-Base interactions energy: -1512.496 where: short stacking energy: -617.144 Base-Backbone interact. energy: -2.782 local terms energy: -646.445140 where: bonds (distance) C4'-P energy: -117.690 bonds (distance) P-C4' energy: -112.558 flat angles C4'-P-C4' energy: -140.367 flat angles P-C4'-P energy: -88.162 tors. eta vs tors. theta energy: -187.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2055.460648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.460648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.460648 (E_RNA) where: Base-Base interactions energy: -1393.604 where: short stacking energy: -602.389 Base-Backbone interact. energy: 0.176 local terms energy: -662.032269 where: bonds (distance) C4'-P energy: -108.879 bonds (distance) P-C4' energy: -118.601 flat angles C4'-P-C4' energy: -148.413 flat angles P-C4'-P energy: -99.875 tors. eta vs tors. theta energy: -186.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1965.018111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.018111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.018111 (E_RNA) where: Base-Base interactions energy: -1339.027 where: short stacking energy: -547.841 Base-Backbone interact. energy: -3.615 local terms energy: -622.376149 where: bonds (distance) C4'-P energy: -107.028 bonds (distance) P-C4' energy: -122.665 flat angles C4'-P-C4' energy: -139.440 flat angles P-C4'-P energy: -83.020 tors. eta vs tors. theta energy: -170.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1848.971108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.971108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.971108 (E_RNA) where: Base-Base interactions energy: -1236.212 where: short stacking energy: -534.282 Base-Backbone interact. energy: -0.661 local terms energy: -612.097978 where: bonds (distance) C4'-P energy: -108.911 bonds (distance) P-C4' energy: -126.716 flat angles C4'-P-C4' energy: -126.188 flat angles P-C4'-P energy: -94.910 tors. eta vs tors. theta energy: -155.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1734.092180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.092180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.092180 (E_RNA) where: Base-Base interactions energy: -1195.481 where: short stacking energy: -500.687 Base-Backbone interact. energy: -1.910 local terms energy: -536.701624 where: bonds (distance) C4'-P energy: -102.159 bonds (distance) P-C4' energy: -96.248 flat angles C4'-P-C4' energy: -122.875 flat angles P-C4'-P energy: -75.646 tors. eta vs tors. theta energy: -139.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1592.478423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.478423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.478423 (E_RNA) where: Base-Base interactions energy: -1058.417 where: short stacking energy: -444.943 Base-Backbone interact. energy: -2.604 local terms energy: -531.457155 where: bonds (distance) C4'-P energy: -112.041 bonds (distance) P-C4' energy: -113.218 flat angles C4'-P-C4' energy: -104.533 flat angles P-C4'-P energy: -71.794 tors. eta vs tors. theta energy: -129.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1354.449576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.449576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.449576 (E_RNA) where: Base-Base interactions energy: -890.668 where: short stacking energy: -382.627 Base-Backbone interact. energy: 4.438 local terms energy: -468.219883 where: bonds (distance) C4'-P energy: -88.348 bonds (distance) P-C4' energy: -102.734 flat angles C4'-P-C4' energy: -106.602 flat angles P-C4'-P energy: -72.267 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: 8, replica: 6 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1015.003072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.003072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.003072 (E_RNA) where: Base-Base interactions energy: -593.882 where: short stacking energy: -289.572 Base-Backbone interact. energy: -3.264 local terms energy: -417.857220 where: bonds (distance) C4'-P energy: -121.557 bonds (distance) P-C4' energy: -86.631 flat angles C4'-P-C4' energy: -86.953 flat angles P-C4'-P energy: -71.761 tors. eta vs tors. theta energy: -50.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -721.719926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.719926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.719926 (E_RNA) where: Base-Base interactions energy: -380.365 where: short stacking energy: -217.502 Base-Backbone interact. energy: 3.293 local terms energy: -344.647546 where: bonds (distance) C4'-P energy: -100.365 bonds (distance) P-C4' energy: -113.695 flat angles C4'-P-C4' energy: -85.982 flat angles P-C4'-P energy: -27.683 tors. eta vs tors. theta energy: -16.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -536.454138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.454138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.454138 (E_RNA) where: Base-Base interactions energy: -205.506 where: short stacking energy: -156.805 Base-Backbone interact. energy: 5.952 local terms energy: -336.900525 where: bonds (distance) C4'-P energy: -87.928 bonds (distance) P-C4' energy: -116.114 flat angles C4'-P-C4' energy: -93.752 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: 3.283 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: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2169.603770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.603770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.603770 (E_RNA) where: Base-Base interactions energy: -1534.874 where: short stacking energy: -623.193 Base-Backbone interact. energy: -3.531 local terms energy: -631.199075 where: bonds (distance) C4'-P energy: -116.310 bonds (distance) P-C4' energy: -113.428 flat angles C4'-P-C4' energy: -133.410 flat angles P-C4'-P energy: -86.783 tors. eta vs tors. theta energy: -181.268 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: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2040.605465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.605465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.605465 (E_RNA) where: Base-Base interactions energy: -1378.628 where: short stacking energy: -614.836 Base-Backbone interact. energy: 0.775 local terms energy: -662.752318 where: bonds (distance) C4'-P energy: -120.623 bonds (distance) P-C4' energy: -126.288 flat angles C4'-P-C4' energy: -132.021 flat angles P-C4'-P energy: -93.448 tors. eta vs tors. theta energy: -190.372 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: 7 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1971.682017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.682017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.682017 (E_RNA) where: Base-Base interactions energy: -1349.149 where: short stacking energy: -554.228 Base-Backbone interact. energy: -1.488 local terms energy: -621.044814 where: bonds (distance) C4'-P energy: -111.449 bonds (distance) P-C4' energy: -120.084 flat angles C4'-P-C4' energy: -126.669 flat angles P-C4'-P energy: -89.866 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: 4, replica: 2 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1809.622157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.622157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.622157 (E_RNA) where: Base-Base interactions energy: -1215.047 where: short stacking energy: -511.457 Base-Backbone interact. energy: -3.184 local terms energy: -591.390830 where: bonds (distance) C4'-P energy: -112.209 bonds (distance) P-C4' energy: -118.364 flat angles C4'-P-C4' energy: -116.154 flat angles P-C4'-P energy: -87.251 tors. eta vs tors. theta energy: -157.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1782.619249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.619249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.619249 (E_RNA) where: Base-Base interactions energy: -1223.575 where: short stacking energy: -506.715 Base-Backbone interact. energy: -1.063 local terms energy: -557.981704 where: bonds (distance) C4'-P energy: -101.438 bonds (distance) P-C4' energy: -115.711 flat angles C4'-P-C4' energy: -118.850 flat angles P-C4'-P energy: -72.776 tors. eta vs tors. theta energy: -149.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1594.864559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.864559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.864559 (E_RNA) where: Base-Base interactions energy: -1040.382 where: short stacking energy: -420.624 Base-Backbone interact. energy: -1.952 local terms energy: -552.531145 where: bonds (distance) C4'-P energy: -110.556 bonds (distance) P-C4' energy: -124.510 flat angles C4'-P-C4' energy: -125.462 flat angles P-C4'-P energy: -69.948 tors. eta vs tors. theta energy: -122.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1348.530184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.530184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.530184 (E_RNA) where: Base-Base interactions energy: -882.748 where: short stacking energy: -378.643 Base-Backbone interact. energy: -0.570 local terms energy: -465.213059 where: bonds (distance) C4'-P energy: -94.267 bonds (distance) P-C4' energy: -100.397 flat angles C4'-P-C4' energy: -105.859 flat angles P-C4'-P energy: -67.728 tors. eta vs tors. theta energy: -96.962 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: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -947.334070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.334070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.334070 (E_RNA) where: Base-Base interactions energy: -554.198 where: short stacking energy: -250.834 Base-Backbone interact. energy: 0.648 local terms energy: -393.784752 where: bonds (distance) C4'-P energy: -98.557 bonds (distance) P-C4' energy: -120.831 flat angles C4'-P-C4' energy: -101.364 flat angles P-C4'-P energy: -56.819 tors. eta vs tors. theta energy: -16.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -660.251946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.251946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.251946 (E_RNA) where: Base-Base interactions energy: -327.955 where: short stacking energy: -169.951 Base-Backbone interact. energy: 0.581 local terms energy: -332.877556 where: bonds (distance) C4'-P energy: -98.617 bonds (distance) P-C4' energy: -118.825 flat angles C4'-P-C4' energy: -77.901 flat angles P-C4'-P energy: -45.024 tors. eta vs tors. theta energy: 7.489 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: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -440.545371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.545371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.545371 (E_RNA) where: Base-Base interactions energy: -156.178 where: short stacking energy: -94.569 Base-Backbone interact. energy: -2.103 local terms energy: -282.264126 where: bonds (distance) C4'-P energy: -80.888 bonds (distance) P-C4' energy: -114.670 flat angles C4'-P-C4' energy: -76.942 flat angles P-C4'-P energy: -43.028 tors. eta vs tors. theta energy: 33.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2157.463731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.463731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.463731 (E_RNA) where: Base-Base interactions energy: -1486.186 where: short stacking energy: -611.679 Base-Backbone interact. energy: -4.032 local terms energy: -667.245943 where: bonds (distance) C4'-P energy: -124.832 bonds (distance) P-C4' energy: -128.180 flat angles C4'-P-C4' energy: -141.854 flat angles P-C4'-P energy: -91.272 tors. eta vs tors. theta energy: -181.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2063.054523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.054523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.054523 (E_RNA) where: Base-Base interactions energy: -1403.124 where: short stacking energy: -593.797 Base-Backbone interact. energy: -1.897 local terms energy: -658.032577 where: bonds (distance) C4'-P energy: -116.855 bonds (distance) P-C4' energy: -120.014 flat angles C4'-P-C4' energy: -141.611 flat angles P-C4'-P energy: -90.313 tors. eta vs tors. theta energy: -189.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1959.831887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.831887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.831887 (E_RNA) where: Base-Base interactions energy: -1353.001 where: short stacking energy: -563.223 Base-Backbone interact. energy: -2.094 local terms energy: -604.736968 where: bonds (distance) C4'-P energy: -102.795 bonds (distance) P-C4' energy: -122.898 flat angles C4'-P-C4' energy: -117.596 flat angles P-C4'-P energy: -91.306 tors. eta vs tors. theta energy: -170.142 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: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1795.315147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.315147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.315147 (E_RNA) where: Base-Base interactions energy: -1238.294 where: short stacking energy: -528.082 Base-Backbone interact. energy: -0.943 local terms energy: -556.078562 where: bonds (distance) C4'-P energy: -103.356 bonds (distance) P-C4' energy: -102.595 flat angles C4'-P-C4' energy: -117.378 flat angles P-C4'-P energy: -71.835 tors. eta vs tors. theta energy: -160.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1814.832736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.832736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.832736 (E_RNA) where: Base-Base interactions energy: -1212.680 where: short stacking energy: -512.488 Base-Backbone interact. energy: 0.590 local terms energy: -602.743086 where: bonds (distance) C4'-P energy: -110.197 bonds (distance) P-C4' energy: -116.143 flat angles C4'-P-C4' energy: -134.239 flat angles P-C4'-P energy: -88.942 tors. eta vs tors. theta energy: -153.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1654.301534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.301534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.301534 (E_RNA) where: Base-Base interactions energy: -1113.551 where: short stacking energy: -463.464 Base-Backbone interact. energy: -4.551 local terms energy: -536.199343 where: bonds (distance) C4'-P energy: -107.882 bonds (distance) P-C4' energy: -92.915 flat angles C4'-P-C4' energy: -123.478 flat angles P-C4'-P energy: -73.593 tors. eta vs tors. theta energy: -138.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1413.369153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.369153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.369153 (E_RNA) where: Base-Base interactions energy: -943.582 where: short stacking energy: -400.422 Base-Backbone interact. energy: -1.416 local terms energy: -468.371430 where: bonds (distance) C4'-P energy: -93.415 bonds (distance) P-C4' energy: -100.678 flat angles C4'-P-C4' energy: -119.844 flat angles P-C4'-P energy: -43.297 tors. eta vs tors. theta energy: -111.137 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: 437 Temperature: 1.250000 Total energy: -1005.963877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.963877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.963877 (E_RNA) where: Base-Base interactions energy: -618.171 where: short stacking energy: -270.638 Base-Backbone interact. energy: -4.047 local terms energy: -383.745676 where: bonds (distance) C4'-P energy: -99.569 bonds (distance) P-C4' energy: -93.923 flat angles C4'-P-C4' energy: -103.382 flat angles P-C4'-P energy: -58.097 tors. eta vs tors. theta energy: -28.774 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: 8 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -687.502318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.502318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.502318 (E_RNA) where: Base-Base interactions energy: -372.298 where: short stacking energy: -208.689 Base-Backbone interact. energy: -2.505 local terms energy: -312.699038 where: bonds (distance) C4'-P energy: -83.678 bonds (distance) P-C4' energy: -75.311 flat angles C4'-P-C4' energy: -87.484 flat angles P-C4'-P energy: -51.655 tors. eta vs tors. theta energy: -14.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -481.665938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.665938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.665938 (E_RNA) where: Base-Base interactions energy: -157.134 where: short stacking energy: -126.802 Base-Backbone interact. energy: -2.365 local terms energy: -322.167360 where: bonds (distance) C4'-P energy: -94.558 bonds (distance) P-C4' energy: -108.190 flat angles C4'-P-C4' energy: -99.963 flat angles P-C4'-P energy: -28.520 tors. eta vs tors. theta energy: 9.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2171.401709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.401709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.401709 (E_RNA) where: Base-Base interactions energy: -1511.872 where: short stacking energy: -629.505 Base-Backbone interact. energy: 0.576 local terms energy: -660.105569 where: bonds (distance) C4'-P energy: -120.714 bonds (distance) P-C4' energy: -123.709 flat angles C4'-P-C4' energy: -141.928 flat angles P-C4'-P energy: -91.426 tors. eta vs tors. theta energy: -182.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2025.762949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.762949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.762949 (E_RNA) where: Base-Base interactions energy: -1364.898 where: short stacking energy: -562.347 Base-Backbone interact. energy: -0.105 local terms energy: -660.759404 where: bonds (distance) C4'-P energy: -120.099 bonds (distance) P-C4' energy: -115.050 flat angles C4'-P-C4' energy: -133.521 flat angles P-C4'-P energy: -105.979 tors. eta vs tors. theta energy: -186.112 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: 7 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2018.920759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.920759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.920759 (E_RNA) where: Base-Base interactions energy: -1396.739 where: short stacking energy: -573.838 Base-Backbone interact. energy: -0.933 local terms energy: -621.248994 where: bonds (distance) C4'-P energy: -115.441 bonds (distance) P-C4' energy: -121.442 flat angles C4'-P-C4' energy: -129.676 flat angles P-C4'-P energy: -84.797 tors. eta vs tors. theta energy: -169.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1834.123509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.123509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.123509 (E_RNA) where: Base-Base interactions energy: -1241.394 where: short stacking energy: -536.471 Base-Backbone interact. energy: -1.901 local terms energy: -590.828562 where: bonds (distance) C4'-P energy: -112.784 bonds (distance) P-C4' energy: -117.711 flat angles C4'-P-C4' energy: -130.727 flat angles P-C4'-P energy: -79.240 tors. eta vs tors. theta energy: -150.368 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: 438 Temperature: 1.100000 Total energy: -1751.388164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.388164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.388164 (E_RNA) where: Base-Base interactions energy: -1183.994 where: short stacking energy: -496.559 Base-Backbone interact. energy: -2.080 local terms energy: -565.313794 where: bonds (distance) C4'-P energy: -130.948 bonds (distance) P-C4' energy: -86.096 flat angles C4'-P-C4' energy: -124.329 flat angles P-C4'-P energy: -83.971 tors. eta vs tors. theta energy: -139.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1636.323308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.323308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.323308 (E_RNA) where: Base-Base interactions energy: -1097.969 where: short stacking energy: -443.089 Base-Backbone interact. energy: -0.608 local terms energy: -537.746669 where: bonds (distance) C4'-P energy: -100.048 bonds (distance) P-C4' energy: -106.814 flat angles C4'-P-C4' energy: -121.539 flat angles P-C4'-P energy: -76.566 tors. eta vs tors. theta energy: -132.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1466.124699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.124699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.124699 (E_RNA) where: Base-Base interactions energy: -951.807 where: short stacking energy: -407.022 Base-Backbone interact. energy: -1.774 local terms energy: -512.543795 where: bonds (distance) C4'-P energy: -103.352 bonds (distance) P-C4' energy: -115.696 flat angles C4'-P-C4' energy: -109.685 flat angles P-C4'-P energy: -82.763 tors. eta vs tors. theta energy: -101.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -960.881731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.881731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.881731 (E_RNA) where: Base-Base interactions energy: -550.076 where: short stacking energy: -267.207 Base-Backbone interact. energy: 0.213 local terms energy: -411.018593 where: bonds (distance) C4'-P energy: -99.842 bonds (distance) P-C4' energy: -101.579 flat angles C4'-P-C4' energy: -100.226 flat angles P-C4'-P energy: -66.999 tors. eta vs tors. theta energy: -42.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -724.422828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.422828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.422828 (E_RNA) where: Base-Base interactions energy: -366.277 where: short stacking energy: -199.186 Base-Backbone interact. energy: -1.996 local terms energy: -356.150025 where: bonds (distance) C4'-P energy: -99.031 bonds (distance) P-C4' energy: -103.094 flat angles C4'-P-C4' energy: -103.153 flat angles P-C4'-P energy: -40.846 tors. eta vs tors. theta energy: -10.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -477.883432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.883432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.883432 (E_RNA) where: Base-Base interactions energy: -189.296 where: short stacking energy: -145.367 Base-Backbone interact. energy: 3.080 local terms energy: -291.667430 where: bonds (distance) C4'-P energy: -84.242 bonds (distance) P-C4' energy: -108.548 flat angles C4'-P-C4' energy: -94.328 flat angles P-C4'-P energy: -32.374 tors. eta vs tors. theta energy: 27.825 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: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2170.270080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.270080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.270080 (E_RNA) where: Base-Base interactions energy: -1496.657 where: short stacking energy: -627.025 Base-Backbone interact. energy: -4.438 local terms energy: -669.174942 where: bonds (distance) C4'-P energy: -117.929 bonds (distance) P-C4' energy: -129.515 flat angles C4'-P-C4' energy: -138.712 flat angles P-C4'-P energy: -87.705 tors. eta vs tors. theta energy: -195.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2058.816054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.816054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.816054 (E_RNA) where: Base-Base interactions energy: -1421.995 where: short stacking energy: -599.331 Base-Backbone interact. energy: -1.568 local terms energy: -635.252494 where: bonds (distance) C4'-P energy: -105.664 bonds (distance) P-C4' energy: -121.256 flat angles C4'-P-C4' energy: -135.314 flat angles P-C4'-P energy: -100.654 tors. eta vs tors. theta energy: -172.366 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: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2003.801686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.801686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.801686 (E_RNA) where: Base-Base interactions energy: -1386.584 where: short stacking energy: -580.799 Base-Backbone interact. energy: 3.378 local terms energy: -620.595972 where: bonds (distance) C4'-P energy: -99.153 bonds (distance) P-C4' energy: -117.245 flat angles C4'-P-C4' energy: -136.463 flat angles P-C4'-P energy: -84.244 tors. eta vs tors. theta energy: -183.491 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: 4, replica: 5 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1846.000561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.000561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.000561 (E_RNA) where: Base-Base interactions energy: -1234.774 where: short stacking energy: -558.448 Base-Backbone interact. energy: 0.131 local terms energy: -611.358158 where: bonds (distance) C4'-P energy: -105.666 bonds (distance) P-C4' energy: -132.133 flat angles C4'-P-C4' energy: -122.086 flat angles P-C4'-P energy: -83.610 tors. eta vs tors. theta energy: -167.863 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: 439 Temperature: 1.100000 Total energy: -1759.381050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.381050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.381050 (E_RNA) where: Base-Base interactions energy: -1177.752 where: short stacking energy: -483.378 Base-Backbone interact. energy: -0.464 local terms energy: -581.165067 where: bonds (distance) C4'-P energy: -106.817 bonds (distance) P-C4' energy: -110.095 flat angles C4'-P-C4' energy: -128.370 flat angles P-C4'-P energy: -79.355 tors. eta vs tors. theta energy: -156.527 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: 3 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1607.149031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.149031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.149031 (E_RNA) where: Base-Base interactions energy: -1043.790 where: short stacking energy: -450.600 Base-Backbone interact. energy: -3.349 local terms energy: -560.010187 where: bonds (distance) C4'-P energy: -112.873 bonds (distance) P-C4' energy: -117.627 flat angles C4'-P-C4' energy: -119.472 flat angles P-C4'-P energy: -75.827 tors. eta vs tors. theta energy: -134.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1516.043227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.043227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.043227 (E_RNA) where: Base-Base interactions energy: -1003.379 where: short stacking energy: -437.795 Base-Backbone interact. energy: 1.970 local terms energy: -514.634490 where: bonds (distance) C4'-P energy: -90.987 bonds (distance) P-C4' energy: -108.170 flat angles C4'-P-C4' energy: -110.965 flat angles P-C4'-P energy: -82.950 tors. eta vs tors. theta energy: -121.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -954.493243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.493243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.493243 (E_RNA) where: Base-Base interactions energy: -543.566 where: short stacking energy: -262.716 Base-Backbone interact. energy: -3.468 local terms energy: -407.458956 where: bonds (distance) C4'-P energy: -93.651 bonds (distance) P-C4' energy: -104.000 flat angles C4'-P-C4' energy: -109.045 flat angles P-C4'-P energy: -64.842 tors. eta vs tors. theta energy: -35.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -672.741644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.741644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.741644 (E_RNA) where: Base-Base interactions energy: -311.745 where: short stacking energy: -185.193 Base-Backbone interact. energy: -2.739 local terms energy: -358.257781 where: bonds (distance) C4'-P energy: -96.831 bonds (distance) P-C4' energy: -118.958 flat angles C4'-P-C4' energy: -113.182 flat angles P-C4'-P energy: -37.124 tors. eta vs tors. theta energy: 7.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -504.793529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.793529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.793529 (E_RNA) where: Base-Base interactions energy: -186.443 where: short stacking energy: -133.628 Base-Backbone interact. energy: 2.545 local terms energy: -320.895628 where: bonds (distance) C4'-P energy: -100.691 bonds (distance) P-C4' energy: -107.317 flat angles C4'-P-C4' energy: -81.153 flat angles P-C4'-P energy: -32.482 tors. eta vs tors. theta energy: 0.747 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: 1, replica: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2168.329255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.329255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.329255 (E_RNA) where: Base-Base interactions energy: -1490.368 where: short stacking energy: -626.391 Base-Backbone interact. energy: -1.127 local terms energy: -676.834851 where: bonds (distance) C4'-P energy: -109.583 bonds (distance) P-C4' energy: -128.610 flat angles C4'-P-C4' energy: -144.396 flat angles P-C4'-P energy: -100.679 tors. eta vs tors. theta energy: -193.567 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: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2026.021311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.021311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.021311 (E_RNA) where: Base-Base interactions energy: -1389.533 where: short stacking energy: -584.498 Base-Backbone interact. energy: -1.026 local terms energy: -635.461993 where: bonds (distance) C4'-P energy: -115.031 bonds (distance) P-C4' energy: -127.950 flat angles C4'-P-C4' energy: -129.119 flat angles P-C4'-P energy: -93.670 tors. eta vs tors. theta energy: -169.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1999.405544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.405544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.405544 (E_RNA) where: Base-Base interactions energy: -1368.771 where: short stacking energy: -586.225 Base-Backbone interact. energy: -0.461 local terms energy: -630.174242 where: bonds (distance) C4'-P energy: -117.762 bonds (distance) P-C4' energy: -118.360 flat angles C4'-P-C4' energy: -131.478 flat angles P-C4'-P energy: -88.744 tors. eta vs tors. theta energy: -173.830 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: 5 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1848.629642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.629642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.629642 (E_RNA) where: Base-Base interactions energy: -1239.512 where: short stacking energy: -525.753 Base-Backbone interact. energy: -2.449 local terms energy: -606.668285 where: bonds (distance) C4'-P energy: -109.838 bonds (distance) P-C4' energy: -122.312 flat angles C4'-P-C4' energy: -128.151 flat angles P-C4'-P energy: -85.637 tors. eta vs tors. theta energy: -160.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1732.392707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.392707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.392707 (E_RNA) where: Base-Base interactions energy: -1166.594 where: short stacking energy: -484.910 Base-Backbone interact. energy: -2.381 local terms energy: -563.417835 where: bonds (distance) C4'-P energy: -102.381 bonds (distance) P-C4' energy: -109.784 flat angles C4'-P-C4' energy: -133.276 flat angles P-C4'-P energy: -66.743 tors. eta vs tors. theta energy: -151.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1683.554133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.554133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.554133 (E_RNA) where: Base-Base interactions energy: -1146.604 where: short stacking energy: -499.927 Base-Backbone interact. energy: -1.082 local terms energy: -535.868031 where: bonds (distance) C4'-P energy: -83.986 bonds (distance) P-C4' energy: -110.570 flat angles C4'-P-C4' energy: -125.129 flat angles P-C4'-P energy: -70.533 tors. eta vs tors. theta energy: -145.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1507.242421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.242421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.242421 (E_RNA) where: Base-Base interactions energy: -974.619 where: short stacking energy: -387.323 Base-Backbone interact. energy: 0.314 local terms energy: -532.936707 where: bonds (distance) C4'-P energy: -110.697 bonds (distance) P-C4' energy: -114.134 flat angles C4'-P-C4' energy: -126.781 flat angles P-C4'-P energy: -64.634 tors. eta vs tors. theta energy: -116.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1001.457214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.457214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.457214 (E_RNA) where: Base-Base interactions energy: -595.677 where: short stacking energy: -282.368 Base-Backbone interact. energy: 2.968 local terms energy: -408.748427 where: bonds (distance) C4'-P energy: -96.045 bonds (distance) P-C4' energy: -99.494 flat angles C4'-P-C4' energy: -110.920 flat angles P-C4'-P energy: -65.476 tors. eta vs tors. theta energy: -36.814 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: 8 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -617.363053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.363053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.363053 (E_RNA) where: Base-Base interactions energy: -262.732 where: short stacking energy: -146.546 Base-Backbone interact. energy: -2.246 local terms energy: -352.385359 where: bonds (distance) C4'-P energy: -95.070 bonds (distance) P-C4' energy: -110.592 flat angles C4'-P-C4' energy: -103.249 flat angles P-C4'-P energy: -61.133 tors. eta vs tors. theta energy: 17.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -452.733416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.733416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.733416 (E_RNA) where: Base-Base interactions energy: -151.483 where: short stacking energy: -119.623 Base-Backbone interact. energy: 2.404 local terms energy: -303.654150 where: bonds (distance) C4'-P energy: -96.838 bonds (distance) P-C4' energy: -118.367 flat angles C4'-P-C4' energy: -64.728 flat angles P-C4'-P energy: -55.523 tors. eta vs tors. theta energy: 31.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2164.362574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.362574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.362574 (E_RNA) where: Base-Base interactions energy: -1524.337 where: short stacking energy: -622.195 Base-Backbone interact. energy: -4.249 local terms energy: -635.775816 where: bonds (distance) C4'-P energy: -119.625 bonds (distance) P-C4' energy: -133.297 flat angles C4'-P-C4' energy: -135.776 flat angles P-C4'-P energy: -72.716 tors. eta vs tors. theta energy: -174.362 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: 7 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2043.811362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.811362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.811362 (E_RNA) where: Base-Base interactions energy: -1422.398 where: short stacking energy: -558.780 Base-Backbone interact. energy: -1.337 local terms energy: -620.075723 where: bonds (distance) C4'-P energy: -108.611 bonds (distance) P-C4' energy: -115.375 flat angles C4'-P-C4' energy: -131.235 flat angles P-C4'-P energy: -92.961 tors. eta vs tors. theta energy: -171.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2016.716963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.716963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.716963 (E_RNA) where: Base-Base interactions energy: -1401.245 where: short stacking energy: -590.465 Base-Backbone interact. energy: -0.453 local terms energy: -615.019477 where: bonds (distance) C4'-P energy: -121.960 bonds (distance) P-C4' energy: -121.747 flat angles C4'-P-C4' energy: -125.796 flat angles P-C4'-P energy: -70.514 tors. eta vs tors. theta energy: -175.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1838.114847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.114847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.114847 (E_RNA) where: Base-Base interactions energy: -1258.972 where: short stacking energy: -549.892 Base-Backbone interact. energy: 0.326 local terms energy: -579.469317 where: bonds (distance) C4'-P energy: -97.689 bonds (distance) P-C4' energy: -109.833 flat angles C4'-P-C4' energy: -132.062 flat angles P-C4'-P energy: -82.334 tors. eta vs tors. theta energy: -157.552 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: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1797.561588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.561588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.561588 (E_RNA) where: Base-Base interactions energy: -1217.732 where: short stacking energy: -528.691 Base-Backbone interact. energy: 0.518 local terms energy: -580.347101 where: bonds (distance) C4'-P energy: -112.480 bonds (distance) P-C4' energy: -112.792 flat angles C4'-P-C4' energy: -132.421 flat angles P-C4'-P energy: -77.333 tors. eta vs tors. theta energy: -145.320 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: 3 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1666.727854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.727854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.727854 (E_RNA) where: Base-Base interactions energy: -1109.212 where: short stacking energy: -436.983 Base-Backbone interact. energy: -1.690 local terms energy: -555.825991 where: bonds (distance) C4'-P energy: -93.381 bonds (distance) P-C4' energy: -116.331 flat angles C4'-P-C4' energy: -123.673 flat angles P-C4'-P energy: -82.213 tors. eta vs tors. theta energy: -140.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1461.073153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.073153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.073153 (E_RNA) where: Base-Base interactions energy: -959.261 where: short stacking energy: -429.156 Base-Backbone interact. energy: -2.358 local terms energy: -499.454038 where: bonds (distance) C4'-P energy: -81.898 bonds (distance) P-C4' energy: -108.257 flat angles C4'-P-C4' energy: -116.434 flat angles P-C4'-P energy: -79.376 tors. eta vs tors. theta energy: -113.489 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: 6 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -988.751987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.751987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.751987 (E_RNA) where: Base-Base interactions energy: -598.648 where: short stacking energy: -287.520 Base-Backbone interact. energy: -0.372 local terms energy: -389.731939 where: bonds (distance) C4'-P energy: -106.261 bonds (distance) P-C4' energy: -99.910 flat angles C4'-P-C4' energy: -83.685 flat angles P-C4'-P energy: -44.530 tors. eta vs tors. theta energy: -55.346 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: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -642.871809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.871809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.871809 (E_RNA) where: Base-Base interactions energy: -312.927 where: short stacking energy: -182.556 Base-Backbone interact. energy: -0.785 local terms energy: -329.159753 where: bonds (distance) C4'-P energy: -109.961 bonds (distance) P-C4' energy: -96.929 flat angles C4'-P-C4' energy: -76.079 flat angles P-C4'-P energy: -50.894 tors. eta vs tors. theta energy: 4.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -449.757965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.757965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.757965 (E_RNA) where: Base-Base interactions energy: -166.696 where: short stacking energy: -130.424 Base-Backbone interact. energy: 7.772 local terms energy: -290.834775 where: bonds (distance) C4'-P energy: -86.469 bonds (distance) P-C4' energy: -117.783 flat angles C4'-P-C4' energy: -78.773 flat angles P-C4'-P energy: -43.035 tors. eta vs tors. theta energy: 35.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2157.250296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.250296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.250296 (E_RNA) where: Base-Base interactions energy: -1513.939 where: short stacking energy: -612.664 Base-Backbone interact. energy: -3.053 local terms energy: -640.258743 where: bonds (distance) C4'-P energy: -124.351 bonds (distance) P-C4' energy: -118.058 flat angles C4'-P-C4' energy: -136.767 flat angles P-C4'-P energy: -86.291 tors. eta vs tors. theta energy: -174.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2028.353027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.353027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.353027 (E_RNA) where: Base-Base interactions energy: -1410.313 where: short stacking energy: -573.060 Base-Backbone interact. energy: -2.055 local terms energy: -615.985175 where: bonds (distance) C4'-P energy: -104.073 bonds (distance) P-C4' energy: -127.256 flat angles C4'-P-C4' energy: -122.883 flat angles P-C4'-P energy: -99.355 tors. eta vs tors. theta energy: -162.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2036.199772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.199772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.199772 (E_RNA) where: Base-Base interactions energy: -1404.694 where: short stacking energy: -600.018 Base-Backbone interact. energy: 3.389 local terms energy: -634.894765 where: bonds (distance) C4'-P energy: -106.915 bonds (distance) P-C4' energy: -116.172 flat angles C4'-P-C4' energy: -135.471 flat angles P-C4'-P energy: -97.571 tors. eta vs tors. theta energy: -178.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1884.574266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.574266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.574266 (E_RNA) where: Base-Base interactions energy: -1273.097 where: short stacking energy: -533.255 Base-Backbone interact. energy: 0.519 local terms energy: -611.996423 where: bonds (distance) C4'-P energy: -105.092 bonds (distance) P-C4' energy: -120.490 flat angles C4'-P-C4' energy: -135.866 flat angles P-C4'-P energy: -85.524 tors. eta vs tors. theta energy: -165.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1764.492693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.492693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.492693 (E_RNA) where: Base-Base interactions energy: -1180.629 where: short stacking energy: -510.995 Base-Backbone interact. energy: -1.931 local terms energy: -581.933354 where: bonds (distance) C4'-P energy: -119.432 bonds (distance) P-C4' energy: -108.065 flat angles C4'-P-C4' energy: -128.336 flat angles P-C4'-P energy: -80.898 tors. eta vs tors. theta energy: -145.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1695.642471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.642471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.642471 (E_RNA) where: Base-Base interactions energy: -1163.565 where: short stacking energy: -480.948 Base-Backbone interact. energy: -2.947 local terms energy: -529.131099 where: bonds (distance) C4'-P energy: -109.635 bonds (distance) P-C4' energy: -93.413 flat angles C4'-P-C4' energy: -118.205 flat angles P-C4'-P energy: -70.885 tors. eta vs tors. theta energy: -136.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1361.348874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.348874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.348874 (E_RNA) where: Base-Base interactions energy: -897.686 where: short stacking energy: -377.396 Base-Backbone interact. energy: -3.786 local terms energy: -459.876949 where: bonds (distance) C4'-P energy: -108.896 bonds (distance) P-C4' energy: -89.841 flat angles C4'-P-C4' energy: -108.653 flat angles P-C4'-P energy: -56.183 tors. eta vs tors. theta energy: -96.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -968.722419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.722419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.722419 (E_RNA) where: Base-Base interactions energy: -579.050 where: short stacking energy: -250.953 Base-Backbone interact. energy: -1.568 local terms energy: -388.104959 where: bonds (distance) C4'-P energy: -92.558 bonds (distance) P-C4' energy: -102.751 flat angles C4'-P-C4' energy: -115.538 flat angles P-C4'-P energy: -54.438 tors. eta vs tors. theta energy: -22.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -727.167022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.167022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.167022 (E_RNA) where: Base-Base interactions energy: -379.311 where: short stacking energy: -191.631 Base-Backbone interact. energy: 1.820 local terms energy: -349.676199 where: bonds (distance) C4'-P energy: -99.182 bonds (distance) P-C4' energy: -113.636 flat angles C4'-P-C4' energy: -94.313 flat angles P-C4'-P energy: -43.049 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: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -443.696156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.696156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.696156 (E_RNA) where: Base-Base interactions energy: -106.554 where: short stacking energy: -97.085 Base-Backbone interact. energy: -0.230 local terms energy: -336.912691 where: bonds (distance) C4'-P energy: -100.095 bonds (distance) P-C4' energy: -111.480 flat angles C4'-P-C4' energy: -96.492 flat angles P-C4'-P energy: -54.871 tors. eta vs tors. theta energy: 26.026 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: 1, replica: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2178.556217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.556217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.556217 (E_RNA) where: Base-Base interactions energy: -1528.964 where: short stacking energy: -614.454 Base-Backbone interact. energy: -1.309 local terms energy: -648.282802 where: bonds (distance) C4'-P energy: -113.219 bonds (distance) P-C4' energy: -127.457 flat angles C4'-P-C4' energy: -136.400 flat angles P-C4'-P energy: -86.649 tors. eta vs tors. theta energy: -184.558 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: 4 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2100.451671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.451671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.451671 (E_RNA) where: Base-Base interactions energy: -1445.369 where: short stacking energy: -612.474 Base-Backbone interact. energy: 3.629 local terms energy: -658.711620 where: bonds (distance) C4'-P energy: -118.767 bonds (distance) P-C4' energy: -121.742 flat angles C4'-P-C4' energy: -136.806 flat angles P-C4'-P energy: -91.742 tors. eta vs tors. theta energy: -189.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1981.726294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.726294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.726294 (E_RNA) where: Base-Base interactions energy: -1363.730 where: short stacking energy: -561.392 Base-Backbone interact. energy: -0.636 local terms energy: -617.360905 where: bonds (distance) C4'-P energy: -110.326 bonds (distance) P-C4' energy: -115.058 flat angles C4'-P-C4' energy: -132.979 flat angles P-C4'-P energy: -91.103 tors. eta vs tors. theta energy: -167.895 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: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1889.776367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.776367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.776367 (E_RNA) where: Base-Base interactions energy: -1294.215 where: short stacking energy: -537.435 Base-Backbone interact. energy: -1.057 local terms energy: -594.503630 where: bonds (distance) C4'-P energy: -114.937 bonds (distance) P-C4' energy: -109.127 flat angles C4'-P-C4' energy: -130.109 flat angles P-C4'-P energy: -68.943 tors. eta vs tors. theta energy: -171.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1753.886821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.886821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.886821 (E_RNA) where: Base-Base interactions energy: -1196.646 where: short stacking energy: -480.151 Base-Backbone interact. energy: -0.925 local terms energy: -556.315408 where: bonds (distance) C4'-P energy: -117.911 bonds (distance) P-C4' energy: -119.773 flat angles C4'-P-C4' energy: -119.111 flat angles P-C4'-P energy: -71.225 tors. eta vs tors. theta energy: -128.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1627.075311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.075311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.075311 (E_RNA) where: Base-Base interactions energy: -1089.505 where: short stacking energy: -448.968 Base-Backbone interact. energy: -2.887 local terms energy: -534.684114 where: bonds (distance) C4'-P energy: -105.825 bonds (distance) P-C4' energy: -100.408 flat angles C4'-P-C4' energy: -126.025 flat angles P-C4'-P energy: -74.922 tors. eta vs tors. theta energy: -127.504 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: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1348.978626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.978626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.978626 (E_RNA) where: Base-Base interactions energy: -909.003 where: short stacking energy: -370.197 Base-Backbone interact. energy: 0.219 local terms energy: -440.195202 where: bonds (distance) C4'-P energy: -107.186 bonds (distance) P-C4' energy: -104.856 flat angles C4'-P-C4' energy: -95.939 flat angles P-C4'-P energy: -52.851 tors. eta vs tors. theta energy: -79.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -945.108051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.108051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.108051 (E_RNA) where: Base-Base interactions energy: -567.580 where: short stacking energy: -294.298 Base-Backbone interact. energy: 0.497 local terms energy: -378.024584 where: bonds (distance) C4'-P energy: -105.322 bonds (distance) P-C4' energy: -91.241 flat angles C4'-P-C4' energy: -84.183 flat angles P-C4'-P energy: -58.798 tors. eta vs tors. theta energy: -38.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -680.806835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.806835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.806835 (E_RNA) where: Base-Base interactions energy: -323.691 where: short stacking energy: -167.965 Base-Backbone interact. energy: -3.008 local terms energy: -354.107346 where: bonds (distance) C4'-P energy: -106.708 bonds (distance) P-C4' energy: -120.945 flat angles C4'-P-C4' energy: -77.663 flat angles P-C4'-P energy: -53.109 tors. eta vs tors. theta energy: 4.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -455.504789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.504789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.504789 (E_RNA) where: Base-Base interactions energy: -145.065 where: short stacking energy: -123.566 Base-Backbone interact. energy: -1.041 local terms energy: -309.398902 where: bonds (distance) C4'-P energy: -103.639 bonds (distance) P-C4' energy: -94.602 flat angles C4'-P-C4' energy: -84.222 flat angles P-C4'-P energy: -50.609 tors. eta vs tors. theta energy: 23.673 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: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2157.574788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.574788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.574788 (E_RNA) where: Base-Base interactions energy: -1489.322 where: short stacking energy: -606.495 Base-Backbone interact. energy: -3.488 local terms energy: -664.765017 where: bonds (distance) C4'-P energy: -116.624 bonds (distance) P-C4' energy: -133.206 flat angles C4'-P-C4' energy: -131.494 flat angles P-C4'-P energy: -101.833 tors. eta vs tors. theta energy: -181.609 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: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2120.667067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.667067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.667067 (E_RNA) where: Base-Base interactions energy: -1449.137 where: short stacking energy: -597.048 Base-Backbone interact. energy: -5.632 local terms energy: -665.898574 where: bonds (distance) C4'-P energy: -120.101 bonds (distance) P-C4' energy: -128.862 flat angles C4'-P-C4' energy: -135.321 flat angles P-C4'-P energy: -85.886 tors. eta vs tors. theta energy: -195.728 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: 7 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1988.757807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.757807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.757807 (E_RNA) where: Base-Base interactions energy: -1383.746 where: short stacking energy: -578.340 Base-Backbone interact. energy: -3.508 local terms energy: -601.503962 where: bonds (distance) C4'-P energy: -84.772 bonds (distance) P-C4' energy: -114.075 flat angles C4'-P-C4' energy: -141.056 flat angles P-C4'-P energy: -86.002 tors. eta vs tors. theta energy: -175.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1884.708367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.708367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.708367 (E_RNA) where: Base-Base interactions energy: -1287.638 where: short stacking energy: -536.336 Base-Backbone interact. energy: -0.760 local terms energy: -596.310612 where: bonds (distance) C4'-P energy: -110.985 bonds (distance) P-C4' energy: -106.456 flat angles C4'-P-C4' energy: -120.687 flat angles P-C4'-P energy: -95.061 tors. eta vs tors. theta energy: -163.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1750.244835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.244835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.244835 (E_RNA) where: Base-Base interactions energy: -1159.461 where: short stacking energy: -501.153 Base-Backbone interact. energy: -1.617 local terms energy: -589.166502 where: bonds (distance) C4'-P energy: -120.603 bonds (distance) P-C4' energy: -111.607 flat angles C4'-P-C4' energy: -131.911 flat angles P-C4'-P energy: -77.308 tors. eta vs tors. theta energy: -147.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1696.403412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.403412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.403412 (E_RNA) where: Base-Base interactions energy: -1148.867 where: short stacking energy: -514.976 Base-Backbone interact. energy: -0.134 local terms energy: -547.402242 where: bonds (distance) C4'-P energy: -100.910 bonds (distance) P-C4' energy: -105.923 flat angles C4'-P-C4' energy: -123.038 flat angles P-C4'-P energy: -68.151 tors. eta vs tors. theta energy: -149.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1380.195565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.195565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.195565 (E_RNA) where: Base-Base interactions energy: -889.115 where: short stacking energy: -397.546 Base-Backbone interact. energy: -1.291 local terms energy: -489.789068 where: bonds (distance) C4'-P energy: -120.421 bonds (distance) P-C4' energy: -91.855 flat angles C4'-P-C4' energy: -116.937 flat angles P-C4'-P energy: -65.591 tors. eta vs tors. theta energy: -94.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -949.536652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.536652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.536652 (E_RNA) where: Base-Base interactions energy: -567.903 where: short stacking energy: -267.670 Base-Backbone interact. energy: -2.954 local terms energy: -378.679147 where: bonds (distance) C4'-P energy: -108.777 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -100.143 flat angles P-C4'-P energy: -44.875 tors. eta vs tors. theta energy: -26.473 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: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -598.231789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.231789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.231789 (E_RNA) where: Base-Base interactions energy: -276.381 where: short stacking energy: -155.976 Base-Backbone interact. energy: -1.936 local terms energy: -319.914852 where: bonds (distance) C4'-P energy: -94.684 bonds (distance) P-C4' energy: -97.552 flat angles C4'-P-C4' energy: -88.178 flat angles P-C4'-P energy: -54.085 tors. eta vs tors. theta energy: 14.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -455.937608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.937608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.937608 (E_RNA) where: Base-Base interactions energy: -163.471 where: short stacking energy: -131.784 Base-Backbone interact. energy: 5.775 local terms energy: -298.241580 where: bonds (distance) C4'-P energy: -92.638 bonds (distance) P-C4' energy: -101.688 flat angles C4'-P-C4' energy: -84.836 flat angles P-C4'-P energy: -41.880 tors. eta vs tors. theta energy: 22.800 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: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2145.209722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.209722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.209722 (E_RNA) where: Base-Base interactions energy: -1498.034 where: short stacking energy: -611.104 Base-Backbone interact. energy: -2.139 local terms energy: -645.037639 where: bonds (distance) C4'-P energy: -125.355 bonds (distance) P-C4' energy: -122.865 flat angles C4'-P-C4' energy: -131.923 flat angles P-C4'-P energy: -87.950 tors. eta vs tors. theta energy: -176.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2123.418662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.418662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.418662 (E_RNA) where: Base-Base interactions energy: -1446.101 where: short stacking energy: -607.641 Base-Backbone interact. energy: -4.290 local terms energy: -673.027556 where: bonds (distance) C4'-P energy: -116.830 bonds (distance) P-C4' energy: -123.954 flat angles C4'-P-C4' energy: -140.809 flat angles P-C4'-P energy: -94.131 tors. eta vs tors. theta energy: -197.304 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: 7 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1979.911582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.911582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.911582 (E_RNA) where: Base-Base interactions energy: -1377.261 where: short stacking energy: -551.453 Base-Backbone interact. energy: -3.271 local terms energy: -599.378942 where: bonds (distance) C4'-P energy: -115.277 bonds (distance) P-C4' energy: -98.829 flat angles C4'-P-C4' energy: -140.467 flat angles P-C4'-P energy: -77.440 tors. eta vs tors. theta energy: -167.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1879.829248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.829248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.829248 (E_RNA) where: Base-Base interactions energy: -1286.311 where: short stacking energy: -554.435 Base-Backbone interact. energy: 0.453 local terms energy: -593.970979 where: bonds (distance) C4'-P energy: -94.063 bonds (distance) P-C4' energy: -112.840 flat angles C4'-P-C4' energy: -129.193 flat angles P-C4'-P energy: -82.039 tors. eta vs tors. theta energy: -175.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1743.535225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.535225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.535225 (E_RNA) where: Base-Base interactions energy: -1192.891 where: short stacking energy: -466.379 Base-Backbone interact. energy: -1.118 local terms energy: -549.525938 where: bonds (distance) C4'-P energy: -122.029 bonds (distance) P-C4' energy: -104.865 flat angles C4'-P-C4' energy: -121.011 flat angles P-C4'-P energy: -67.189 tors. eta vs tors. theta energy: -134.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1706.191885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.191885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.191885 (E_RNA) where: Base-Base interactions energy: -1153.156 where: short stacking energy: -507.458 Base-Backbone interact. energy: -4.413 local terms energy: -548.623298 where: bonds (distance) C4'-P energy: -87.871 bonds (distance) P-C4' energy: -111.587 flat angles C4'-P-C4' energy: -122.290 flat angles P-C4'-P energy: -89.343 tors. eta vs tors. theta energy: -137.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1349.222316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.222316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.222316 (E_RNA) where: Base-Base interactions energy: -873.307 where: short stacking energy: -370.669 Base-Backbone interact. energy: -0.582 local terms energy: -475.333194 where: bonds (distance) C4'-P energy: -96.389 bonds (distance) P-C4' energy: -117.098 flat angles C4'-P-C4' energy: -98.733 flat angles P-C4'-P energy: -73.271 tors. eta vs tors. theta energy: -89.842 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: 8, replica: 6 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -999.413776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.413776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.413776 (E_RNA) where: Base-Base interactions energy: -598.757 where: short stacking energy: -281.824 Base-Backbone interact. energy: 2.805 local terms energy: -403.462412 where: bonds (distance) C4'-P energy: -92.292 bonds (distance) P-C4' energy: -112.906 flat angles C4'-P-C4' energy: -97.138 flat angles P-C4'-P energy: -51.952 tors. eta vs tors. theta energy: -49.174 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: 8 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -626.490447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.490447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.490447 (E_RNA) where: Base-Base interactions energy: -293.980 where: short stacking energy: -173.264 Base-Backbone interact. energy: 6.872 local terms energy: -339.382222 where: bonds (distance) C4'-P energy: -93.198 bonds (distance) P-C4' energy: -125.307 flat angles C4'-P-C4' energy: -95.413 flat angles P-C4'-P energy: -43.511 tors. eta vs tors. theta energy: 18.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -491.013122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.013122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.013122 (E_RNA) where: Base-Base interactions energy: -168.203 where: short stacking energy: -142.677 Base-Backbone interact. energy: -2.123 local terms energy: -320.687181 where: bonds (distance) C4'-P energy: -74.341 bonds (distance) P-C4' energy: -125.049 flat angles C4'-P-C4' energy: -70.574 flat angles P-C4'-P energy: -62.561 tors. eta vs tors. theta energy: 11.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2143.792429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.792429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.792429 (E_RNA) where: Base-Base interactions energy: -1472.913 where: short stacking energy: -582.689 Base-Backbone interact. energy: -3.190 local terms energy: -667.689770 where: bonds (distance) C4'-P energy: -122.280 bonds (distance) P-C4' energy: -130.938 flat angles C4'-P-C4' energy: -140.077 flat angles P-C4'-P energy: -103.838 tors. eta vs tors. theta energy: -170.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2082.169851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.169851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.169851 (E_RNA) where: Base-Base interactions energy: -1421.237 where: short stacking energy: -617.121 Base-Backbone interact. energy: -2.644 local terms energy: -658.288530 where: bonds (distance) C4'-P energy: -113.242 bonds (distance) P-C4' energy: -132.224 flat angles C4'-P-C4' energy: -136.088 flat angles P-C4'-P energy: -82.475 tors. eta vs tors. theta energy: -194.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1993.439904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.439904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.439904 (E_RNA) where: Base-Base interactions energy: -1383.811 where: short stacking energy: -586.057 Base-Backbone interact. energy: 1.844 local terms energy: -611.472135 where: bonds (distance) C4'-P energy: -106.772 bonds (distance) P-C4' energy: -113.225 flat angles C4'-P-C4' energy: -131.224 flat angles P-C4'-P energy: -87.785 tors. eta vs tors. theta energy: -172.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1829.901368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.901368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.901368 (E_RNA) where: Base-Base interactions energy: -1227.097 where: short stacking energy: -524.347 Base-Backbone interact. energy: -0.241 local terms energy: -602.563827 where: bonds (distance) C4'-P energy: -135.658 bonds (distance) P-C4' energy: -115.732 flat angles C4'-P-C4' energy: -126.134 flat angles P-C4'-P energy: -81.057 tors. eta vs tors. theta energy: -143.984 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: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1754.851326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.851326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.851326 (E_RNA) where: Base-Base interactions energy: -1181.604 where: short stacking energy: -482.809 Base-Backbone interact. energy: -0.302 local terms energy: -572.945942 where: bonds (distance) C4'-P energy: -118.187 bonds (distance) P-C4' energy: -110.808 flat angles C4'-P-C4' energy: -123.478 flat angles P-C4'-P energy: -73.759 tors. eta vs tors. theta energy: -146.714 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: 3 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1675.391177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.391177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.391177 (E_RNA) where: Base-Base interactions energy: -1153.538 where: short stacking energy: -486.326 Base-Backbone interact. energy: -2.335 local terms energy: -519.518543 where: bonds (distance) C4'-P energy: -100.348 bonds (distance) P-C4' energy: -92.954 flat angles C4'-P-C4' energy: -122.190 flat angles P-C4'-P energy: -69.815 tors. eta vs tors. theta energy: -134.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1418.359133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.359133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.359133 (E_RNA) where: Base-Base interactions energy: -948.987 where: short stacking energy: -413.711 Base-Backbone interact. energy: -3.255 local terms energy: -466.116601 where: bonds (distance) C4'-P energy: -104.134 bonds (distance) P-C4' energy: -108.977 flat angles C4'-P-C4' energy: -106.599 flat angles P-C4'-P energy: -47.634 tors. eta vs tors. theta energy: -98.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -987.442929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.442929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.442929 (E_RNA) where: Base-Base interactions energy: -558.746 where: short stacking energy: -269.715 Base-Backbone interact. energy: -3.657 local terms energy: -425.039777 where: bonds (distance) C4'-P energy: -114.617 bonds (distance) P-C4' energy: -105.225 flat angles C4'-P-C4' energy: -118.705 flat angles P-C4'-P energy: -49.585 tors. eta vs tors. theta energy: -36.908 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: 8 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -636.139694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.139694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.139694 (E_RNA) where: Base-Base interactions energy: -317.322 where: short stacking energy: -181.875 Base-Backbone interact. energy: 2.156 local terms energy: -320.973480 where: bonds (distance) C4'-P energy: -102.512 bonds (distance) P-C4' energy: -97.615 flat angles C4'-P-C4' energy: -73.869 flat angles P-C4'-P energy: -56.319 tors. eta vs tors. theta energy: 9.341 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: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -458.324690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.324690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.324690 (E_RNA) where: Base-Base interactions energy: -192.252 where: short stacking energy: -135.065 Base-Backbone interact. energy: 4.188 local terms energy: -270.261464 where: bonds (distance) C4'-P energy: -83.553 bonds (distance) P-C4' energy: -89.933 flat angles C4'-P-C4' energy: -87.008 flat angles P-C4'-P energy: -41.529 tors. eta vs tors. theta energy: 31.761 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: 1 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2159.070997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.070997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.070997 (E_RNA) where: Base-Base interactions energy: -1493.243 where: short stacking energy: -609.210 Base-Backbone interact. energy: -5.912 local terms energy: -659.915695 where: bonds (distance) C4'-P energy: -126.967 bonds (distance) P-C4' energy: -121.373 flat angles C4'-P-C4' energy: -132.309 flat angles P-C4'-P energy: -101.889 tors. eta vs tors. theta energy: -177.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2105.197359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.197359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.197359 (E_RNA) where: Base-Base interactions energy: -1437.935 where: short stacking energy: -613.302 Base-Backbone interact. energy: -2.750 local terms energy: -664.511895 where: bonds (distance) C4'-P energy: -126.322 bonds (distance) P-C4' energy: -116.511 flat angles C4'-P-C4' energy: -134.691 flat angles P-C4'-P energy: -88.687 tors. eta vs tors. theta energy: -198.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2008.237195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.237195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.237195 (E_RNA) where: Base-Base interactions energy: -1366.731 where: short stacking energy: -541.018 Base-Backbone interact. energy: -3.101 local terms energy: -638.405601 where: bonds (distance) C4'-P energy: -126.321 bonds (distance) P-C4' energy: -123.956 flat angles C4'-P-C4' energy: -122.119 flat angles P-C4'-P energy: -89.792 tors. eta vs tors. theta energy: -176.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1802.011004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.011004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.011004 (E_RNA) where: Base-Base interactions energy: -1196.566 where: short stacking energy: -529.458 Base-Backbone interact. energy: -0.301 local terms energy: -605.144761 where: bonds (distance) C4'-P energy: -116.288 bonds (distance) P-C4' energy: -114.944 flat angles C4'-P-C4' energy: -134.426 flat angles P-C4'-P energy: -77.759 tors. eta vs tors. theta energy: -161.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1726.679688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.679688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.679688 (E_RNA) where: Base-Base interactions energy: -1174.636 where: short stacking energy: -485.886 Base-Backbone interact. energy: -0.279 local terms energy: -551.765029 where: bonds (distance) C4'-P energy: -107.200 bonds (distance) P-C4' energy: -112.973 flat angles C4'-P-C4' energy: -119.441 flat angles P-C4'-P energy: -74.890 tors. eta vs tors. theta energy: -137.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1716.825014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.825014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.825014 (E_RNA) where: Base-Base interactions energy: -1162.371 where: short stacking energy: -500.607 Base-Backbone interact. energy: 2.453 local terms energy: -556.906870 where: bonds (distance) C4'-P energy: -105.496 bonds (distance) P-C4' energy: -112.641 flat angles C4'-P-C4' energy: -105.829 flat angles P-C4'-P energy: -78.498 tors. eta vs tors. theta energy: -154.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1477.007333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.007333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.007333 (E_RNA) where: Base-Base interactions energy: -973.774 where: short stacking energy: -403.659 Base-Backbone interact. energy: -0.123 local terms energy: -503.110619 where: bonds (distance) C4'-P energy: -96.175 bonds (distance) P-C4' energy: -116.526 flat angles C4'-P-C4' energy: -113.728 flat angles P-C4'-P energy: -86.888 tors. eta vs tors. theta energy: -89.794 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: 6 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1024.890878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.890878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.890878 (E_RNA) where: Base-Base interactions energy: -604.857 where: short stacking energy: -274.583 Base-Backbone interact. energy: -2.703 local terms energy: -417.331198 where: bonds (distance) C4'-P energy: -102.627 bonds (distance) P-C4' energy: -114.392 flat angles C4'-P-C4' energy: -101.225 flat angles P-C4'-P energy: -53.578 tors. eta vs tors. theta energy: -45.510 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: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -614.084466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.084466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.084466 (E_RNA) where: Base-Base interactions energy: -269.211 where: short stacking energy: -168.507 Base-Backbone interact. energy: -4.565 local terms energy: -340.308638 where: bonds (distance) C4'-P energy: -122.085 bonds (distance) P-C4' energy: -100.138 flat angles C4'-P-C4' energy: -88.296 flat angles P-C4'-P energy: -51.304 tors. eta vs tors. theta energy: 21.514 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: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -489.532259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.532259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.532259 (E_RNA) where: Base-Base interactions energy: -157.054 where: short stacking energy: -99.154 Base-Backbone interact. energy: -3.502 local terms energy: -328.975895 where: bonds (distance) C4'-P energy: -113.458 bonds (distance) P-C4' energy: -102.809 flat angles C4'-P-C4' energy: -90.527 flat angles P-C4'-P energy: -63.981 tors. eta vs tors. theta energy: 41.799 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: 1 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2185.745078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.745078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.745078 (E_RNA) where: Base-Base interactions energy: -1511.007 where: short stacking energy: -625.338 Base-Backbone interact. energy: -3.658 local terms energy: -671.080340 where: bonds (distance) C4'-P energy: -121.223 bonds (distance) P-C4' energy: -135.879 flat angles C4'-P-C4' energy: -138.595 flat angles P-C4'-P energy: -94.488 tors. eta vs tors. theta energy: -180.895 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: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2067.618034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.618034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.618034 (E_RNA) where: Base-Base interactions energy: -1395.313 where: short stacking energy: -573.497 Base-Backbone interact. energy: -4.170 local terms energy: -668.134609 where: bonds (distance) C4'-P energy: -123.763 bonds (distance) P-C4' energy: -129.043 flat angles C4'-P-C4' energy: -131.221 flat angles P-C4'-P energy: -92.677 tors. eta vs tors. theta energy: -191.431 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: 3, replica: 7 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2005.423833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.423833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.423833 (E_RNA) where: Base-Base interactions energy: -1392.786 where: short stacking energy: -555.675 Base-Backbone interact. energy: -2.499 local terms energy: -610.139073 where: bonds (distance) C4'-P energy: -109.557 bonds (distance) P-C4' energy: -111.450 flat angles C4'-P-C4' energy: -125.397 flat angles P-C4'-P energy: -89.993 tors. eta vs tors. theta energy: -173.742 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: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1799.189593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.189593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.189593 (E_RNA) where: Base-Base interactions energy: -1221.689 where: short stacking energy: -501.327 Base-Backbone interact. energy: -1.604 local terms energy: -575.896514 where: bonds (distance) C4'-P energy: -103.932 bonds (distance) P-C4' energy: -108.367 flat angles C4'-P-C4' energy: -128.555 flat angles P-C4'-P energy: -85.750 tors. eta vs tors. theta energy: -149.292 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: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1826.907003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.907003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.907003 (E_RNA) where: Base-Base interactions energy: -1236.198 where: short stacking energy: -501.426 Base-Backbone interact. energy: -0.435 local terms energy: -590.274898 where: bonds (distance) C4'-P energy: -113.682 bonds (distance) P-C4' energy: -118.499 flat angles C4'-P-C4' energy: -126.115 flat angles P-C4'-P energy: -80.291 tors. eta vs tors. theta energy: -151.687 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: 6, replica: 2 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1651.082489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.082489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.082489 (E_RNA) where: Base-Base interactions energy: -1109.498 where: short stacking energy: -478.328 Base-Backbone interact. energy: -2.519 local terms energy: -539.065877 where: bonds (distance) C4'-P energy: -124.405 bonds (distance) P-C4' energy: -93.181 flat angles C4'-P-C4' energy: -123.207 flat angles P-C4'-P energy: -59.410 tors. eta vs tors. theta energy: -138.863 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: 10 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1400.684478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.684478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.684478 (E_RNA) where: Base-Base interactions energy: -921.874 where: short stacking energy: -384.206 Base-Backbone interact. energy: -2.455 local terms energy: -476.356034 where: bonds (distance) C4'-P energy: -98.818 bonds (distance) P-C4' energy: -110.550 flat angles C4'-P-C4' energy: -104.903 flat angles P-C4'-P energy: -62.174 tors. eta vs tors. theta energy: -99.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1011.345334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.345334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.345334 (E_RNA) where: Base-Base interactions energy: -606.600 where: short stacking energy: -292.799 Base-Backbone interact. energy: 3.200 local terms energy: -407.945189 where: bonds (distance) C4'-P energy: -90.942 bonds (distance) P-C4' energy: -121.234 flat angles C4'-P-C4' energy: -103.262 flat angles P-C4'-P energy: -62.964 tors. eta vs tors. theta energy: -29.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -617.236737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.236737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.236737 (E_RNA) where: Base-Base interactions energy: -276.358 where: short stacking energy: -152.725 Base-Backbone interact. energy: 5.082 local terms energy: -345.960824 where: bonds (distance) C4'-P energy: -108.878 bonds (distance) P-C4' energy: -118.281 flat angles C4'-P-C4' energy: -91.516 flat angles P-C4'-P energy: -35.500 tors. eta vs tors. theta energy: 8.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -477.168495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.168495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.168495 (E_RNA) where: Base-Base interactions energy: -188.569 where: short stacking energy: -131.612 Base-Backbone interact. energy: 2.484 local terms energy: -291.083458 where: bonds (distance) C4'-P energy: -97.452 bonds (distance) P-C4' energy: -107.925 flat angles C4'-P-C4' energy: -77.392 flat angles P-C4'-P energy: -41.379 tors. eta vs tors. theta energy: 33.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2136.596908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.596908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.596908 (E_RNA) where: Base-Base interactions energy: -1468.992 where: short stacking energy: -607.475 Base-Backbone interact. energy: -0.550 local terms energy: -667.055484 where: bonds (distance) C4'-P energy: -118.046 bonds (distance) P-C4' energy: -118.188 flat angles C4'-P-C4' energy: -148.783 flat angles P-C4'-P energy: -101.063 tors. eta vs tors. theta energy: -180.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2065.048276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.048276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.048276 (E_RNA) where: Base-Base interactions energy: -1388.984 where: short stacking energy: -590.230 Base-Backbone interact. energy: 0.366 local terms energy: -676.429619 where: bonds (distance) C4'-P energy: -121.218 bonds (distance) P-C4' energy: -138.686 flat angles C4'-P-C4' energy: -138.121 flat angles P-C4'-P energy: -87.155 tors. eta vs tors. theta energy: -191.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1983.671830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.671830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.671830 (E_RNA) where: Base-Base interactions energy: -1368.103 where: short stacking energy: -555.829 Base-Backbone interact. energy: 4.447 local terms energy: -620.016564 where: bonds (distance) C4'-P energy: -124.611 bonds (distance) P-C4' energy: -118.032 flat angles C4'-P-C4' energy: -122.486 flat angles P-C4'-P energy: -86.317 tors. eta vs tors. theta energy: -168.571 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: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1799.242085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.242085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.242085 (E_RNA) where: Base-Base interactions energy: -1201.439 where: short stacking energy: -507.503 Base-Backbone interact. energy: -2.151 local terms energy: -595.652476 where: bonds (distance) C4'-P energy: -102.599 bonds (distance) P-C4' energy: -123.440 flat angles C4'-P-C4' energy: -132.097 flat angles P-C4'-P energy: -87.974 tors. eta vs tors. theta energy: -149.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1753.069986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.069986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.069986 (E_RNA) where: Base-Base interactions energy: -1214.677 where: short stacking energy: -486.479 Base-Backbone interact. energy: -2.213 local terms energy: -536.179903 where: bonds (distance) C4'-P energy: -109.042 bonds (distance) P-C4' energy: -92.861 flat angles C4'-P-C4' energy: -117.558 flat angles P-C4'-P energy: -73.355 tors. eta vs tors. theta energy: -143.364 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: 2 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1678.062720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.062720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.062720 (E_RNA) where: Base-Base interactions energy: -1120.373 where: short stacking energy: -468.241 Base-Backbone interact. energy: -0.030 local terms energy: -557.659826 where: bonds (distance) C4'-P energy: -107.153 bonds (distance) P-C4' energy: -100.796 flat angles C4'-P-C4' energy: -123.986 flat angles P-C4'-P energy: -68.432 tors. eta vs tors. theta energy: -157.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1394.916833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.916833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.916833 (E_RNA) where: Base-Base interactions energy: -901.069 where: short stacking energy: -400.049 Base-Backbone interact. energy: -3.165 local terms energy: -490.682229 where: bonds (distance) C4'-P energy: -104.785 bonds (distance) P-C4' energy: -111.751 flat angles C4'-P-C4' energy: -122.412 flat angles P-C4'-P energy: -65.179 tors. eta vs tors. theta energy: -86.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1010.358441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.358441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.358441 (E_RNA) where: Base-Base interactions energy: -597.405 where: short stacking energy: -272.669 Base-Backbone interact. energy: -0.791 local terms energy: -412.163172 where: bonds (distance) C4'-P energy: -107.637 bonds (distance) P-C4' energy: -113.255 flat angles C4'-P-C4' energy: -81.761 flat angles P-C4'-P energy: -69.765 tors. eta vs tors. theta energy: -39.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -633.220800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.220800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.220800 (E_RNA) where: Base-Base interactions energy: -271.905 where: short stacking energy: -170.006 Base-Backbone interact. energy: 0.140 local terms energy: -361.455874 where: bonds (distance) C4'-P energy: -95.493 bonds (distance) P-C4' energy: -121.389 flat angles C4'-P-C4' energy: -82.564 flat angles P-C4'-P energy: -67.073 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: 10, replica: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -470.142759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.142759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.142759 (E_RNA) where: Base-Base interactions energy: -140.799 where: short stacking energy: -122.005 Base-Backbone interact. energy: 0.607 local terms energy: -329.950676 where: bonds (distance) C4'-P energy: -99.726 bonds (distance) P-C4' energy: -118.454 flat angles C4'-P-C4' energy: -84.756 flat angles P-C4'-P energy: -54.307 tors. eta vs tors. theta energy: 27.292 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: 1 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2150.252383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.252383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.252383 (E_RNA) where: Base-Base interactions energy: -1470.029 where: short stacking energy: -615.706 Base-Backbone interact. energy: -3.168 local terms energy: -677.055396 where: bonds (distance) C4'-P energy: -128.506 bonds (distance) P-C4' energy: -120.587 flat angles C4'-P-C4' energy: -144.180 flat angles P-C4'-P energy: -95.846 tors. eta vs tors. theta energy: -187.936 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: 2, replica: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2076.235524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.235524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.235524 (E_RNA) where: Base-Base interactions energy: -1444.206 where: short stacking energy: -597.419 Base-Backbone interact. energy: -0.899 local terms energy: -631.131093 where: bonds (distance) C4'-P energy: -115.990 bonds (distance) P-C4' energy: -100.329 flat angles C4'-P-C4' energy: -132.500 flat angles P-C4'-P energy: -97.733 tors. eta vs tors. theta energy: -184.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1966.682134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.682134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.682134 (E_RNA) where: Base-Base interactions energy: -1338.820 where: short stacking energy: -553.264 Base-Backbone interact. energy: -5.080 local terms energy: -622.781885 where: bonds (distance) C4'-P energy: -113.963 bonds (distance) P-C4' energy: -116.085 flat angles C4'-P-C4' energy: -121.871 flat angles P-C4'-P energy: -97.962 tors. eta vs tors. theta energy: -172.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1804.630602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.630602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.630602 (E_RNA) where: Base-Base interactions energy: -1212.586 where: short stacking energy: -513.733 Base-Backbone interact. energy: -3.186 local terms energy: -588.858115 where: bonds (distance) C4'-P energy: -96.974 bonds (distance) P-C4' energy: -120.483 flat angles C4'-P-C4' energy: -124.618 flat angles P-C4'-P energy: -92.910 tors. eta vs tors. theta energy: -153.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1813.304065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.304065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.304065 (E_RNA) where: Base-Base interactions energy: -1217.774 where: short stacking energy: -544.619 Base-Backbone interact. energy: 0.298 local terms energy: -595.827215 where: bonds (distance) C4'-P energy: -116.745 bonds (distance) P-C4' energy: -105.275 flat angles C4'-P-C4' energy: -123.162 flat angles P-C4'-P energy: -89.168 tors. eta vs tors. theta energy: -161.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1701.988889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.988889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.988889 (E_RNA) where: Base-Base interactions energy: -1149.592 where: short stacking energy: -467.002 Base-Backbone interact. energy: -0.605 local terms energy: -551.792128 where: bonds (distance) C4'-P energy: -92.857 bonds (distance) P-C4' energy: -130.509 flat angles C4'-P-C4' energy: -113.789 flat angles P-C4'-P energy: -73.644 tors. eta vs tors. theta energy: -140.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1377.707838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.707838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.707838 (E_RNA) where: Base-Base interactions energy: -923.039 where: short stacking energy: -397.995 Base-Backbone interact. energy: 2.298 local terms energy: -456.967319 where: bonds (distance) C4'-P energy: -90.103 bonds (distance) P-C4' energy: -96.942 flat angles C4'-P-C4' energy: -108.934 flat angles P-C4'-P energy: -65.814 tors. eta vs tors. theta energy: -95.174 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: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1007.586947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.586947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.586947 (E_RNA) where: Base-Base interactions energy: -617.430 where: short stacking energy: -285.759 Base-Backbone interact. energy: 2.460 local terms energy: -392.617746 where: bonds (distance) C4'-P energy: -79.083 bonds (distance) P-C4' energy: -102.882 flat angles C4'-P-C4' energy: -82.616 flat angles P-C4'-P energy: -70.481 tors. eta vs tors. theta energy: -57.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -590.591437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.591437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.591437 (E_RNA) where: Base-Base interactions energy: -265.609 where: short stacking energy: -194.512 Base-Backbone interact. energy: -0.754 local terms energy: -324.229144 where: bonds (distance) C4'-P energy: -95.533 bonds (distance) P-C4' energy: -102.621 flat angles C4'-P-C4' energy: -78.486 flat angles P-C4'-P energy: -55.341 tors. eta vs tors. theta energy: 7.750 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: 10, replica: 9 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -486.129224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.129224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.129224 (E_RNA) where: Base-Base interactions energy: -164.888 where: short stacking energy: -113.970 Base-Backbone interact. energy: -0.369 local terms energy: -320.872043 where: bonds (distance) C4'-P energy: -96.647 bonds (distance) P-C4' energy: -117.792 flat angles C4'-P-C4' energy: -72.101 flat angles P-C4'-P energy: -46.057 tors. eta vs tors. theta energy: 11.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2152.555026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.555026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.555026 (E_RNA) where: Base-Base interactions energy: -1483.199 where: short stacking energy: -608.218 Base-Backbone interact. energy: -4.348 local terms energy: -665.008404 where: bonds (distance) C4'-P energy: -122.392 bonds (distance) P-C4' energy: -110.345 flat angles C4'-P-C4' energy: -142.944 flat angles P-C4'-P energy: -107.242 tors. eta vs tors. theta energy: -182.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2077.548773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.548773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.548773 (E_RNA) where: Base-Base interactions energy: -1442.682 where: short stacking energy: -600.285 Base-Backbone interact. energy: 4.383 local terms energy: -639.249661 where: bonds (distance) C4'-P energy: -117.227 bonds (distance) P-C4' energy: -120.728 flat angles C4'-P-C4' energy: -130.998 flat angles P-C4'-P energy: -74.047 tors. eta vs tors. theta energy: -196.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1983.559115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.559115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.559115 (E_RNA) where: Base-Base interactions energy: -1372.313 where: short stacking energy: -533.569 Base-Backbone interact. energy: -1.640 local terms energy: -609.605665 where: bonds (distance) C4'-P energy: -123.626 bonds (distance) P-C4' energy: -107.096 flat angles C4'-P-C4' energy: -133.416 flat angles P-C4'-P energy: -77.135 tors. eta vs tors. theta energy: -168.333 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: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1845.312855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.312855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.312855 (E_RNA) where: Base-Base interactions energy: -1242.521 where: short stacking energy: -505.955 Base-Backbone interact. energy: -3.700 local terms energy: -599.091793 where: bonds (distance) C4'-P energy: -121.553 bonds (distance) P-C4' energy: -102.909 flat angles C4'-P-C4' energy: -120.955 flat angles P-C4'-P energy: -99.111 tors. eta vs tors. theta energy: -154.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1773.464009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.464009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.464009 (E_RNA) where: Base-Base interactions energy: -1193.658 where: short stacking energy: -517.042 Base-Backbone interact. energy: -1.613 local terms energy: -578.193358 where: bonds (distance) C4'-P energy: -110.440 bonds (distance) P-C4' energy: -114.771 flat angles C4'-P-C4' energy: -121.253 flat angles P-C4'-P energy: -70.601 tors. eta vs tors. theta energy: -161.129 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: 451 Temperature: 1.150000 Total energy: -1664.042283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.042283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.042283 (E_RNA) where: Base-Base interactions energy: -1122.257 where: short stacking energy: -469.310 Base-Backbone interact. energy: -0.523 local terms energy: -541.261760 where: bonds (distance) C4'-P energy: -103.293 bonds (distance) P-C4' energy: -98.145 flat angles C4'-P-C4' energy: -126.051 flat angles P-C4'-P energy: -74.518 tors. eta vs tors. theta energy: -139.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1402.201064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.201064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.201064 (E_RNA) where: Base-Base interactions energy: -903.941 where: short stacking energy: -411.964 Base-Backbone interact. energy: 0.074 local terms energy: -498.334375 where: bonds (distance) C4'-P energy: -104.713 bonds (distance) P-C4' energy: -107.810 flat angles C4'-P-C4' energy: -113.957 flat angles P-C4'-P energy: -70.254 tors. eta vs tors. theta energy: -101.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1035.760690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.760690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.760690 (E_RNA) where: Base-Base interactions energy: -635.431 where: short stacking energy: -282.132 Base-Backbone interact. energy: -3.671 local terms energy: -396.658412 where: bonds (distance) C4'-P energy: -109.520 bonds (distance) P-C4' energy: -101.982 flat angles C4'-P-C4' energy: -89.870 flat angles P-C4'-P energy: -65.156 tors. eta vs tors. theta energy: -30.131 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: 8 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -607.380552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.380552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.380552 (E_RNA) where: Base-Base interactions energy: -259.836 where: short stacking energy: -173.375 Base-Backbone interact. energy: 1.492 local terms energy: -349.036649 where: bonds (distance) C4'-P energy: -94.591 bonds (distance) P-C4' energy: -113.862 flat angles C4'-P-C4' energy: -90.684 flat angles P-C4'-P energy: -47.302 tors. eta vs tors. theta energy: -2.598 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: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -457.814494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.814494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.814494 (E_RNA) where: Base-Base interactions energy: -173.785 where: short stacking energy: -147.543 Base-Backbone interact. energy: 5.368 local terms energy: -289.397852 where: bonds (distance) C4'-P energy: -92.396 bonds (distance) P-C4' energy: -107.714 flat angles C4'-P-C4' energy: -78.056 flat angles P-C4'-P energy: -41.486 tors. eta vs tors. theta energy: 30.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2139.077530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.077530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.077530 (E_RNA) where: Base-Base interactions energy: -1475.109 where: short stacking energy: -623.995 Base-Backbone interact. energy: -4.366 local terms energy: -659.602528 where: bonds (distance) C4'-P energy: -116.220 bonds (distance) P-C4' energy: -116.754 flat angles C4'-P-C4' energy: -139.329 flat angles P-C4'-P energy: -97.623 tors. eta vs tors. theta energy: -189.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2084.370434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.370434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.370434 (E_RNA) where: Base-Base interactions energy: -1444.532 where: short stacking energy: -620.622 Base-Backbone interact. energy: -2.576 local terms energy: -637.262679 where: bonds (distance) C4'-P energy: -112.618 bonds (distance) P-C4' energy: -110.705 flat angles C4'-P-C4' energy: -131.305 flat angles P-C4'-P energy: -77.676 tors. eta vs tors. theta energy: -204.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1998.399190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.399190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.399190 (E_RNA) where: Base-Base interactions energy: -1397.581 where: short stacking energy: -577.968 Base-Backbone interact. energy: -1.710 local terms energy: -599.107565 where: bonds (distance) C4'-P energy: -113.059 bonds (distance) P-C4' energy: -106.984 flat angles C4'-P-C4' energy: -123.838 flat angles P-C4'-P energy: -85.829 tors. eta vs tors. theta energy: -169.397 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: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1902.953404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.953404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.953404 (E_RNA) where: Base-Base interactions energy: -1294.317 where: short stacking energy: -554.264 Base-Backbone interact. energy: -0.505 local terms energy: -608.131625 where: bonds (distance) C4'-P energy: -125.521 bonds (distance) P-C4' energy: -123.281 flat angles C4'-P-C4' energy: -126.858 flat angles P-C4'-P energy: -73.476 tors. eta vs tors. theta energy: -158.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1799.787233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.787233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.787233 (E_RNA) where: Base-Base interactions energy: -1203.483 where: short stacking energy: -505.797 Base-Backbone interact. energy: -1.719 local terms energy: -594.585286 where: bonds (distance) C4'-P energy: -125.211 bonds (distance) P-C4' energy: -97.443 flat angles C4'-P-C4' energy: -133.950 flat angles P-C4'-P energy: -86.105 tors. eta vs tors. theta energy: -151.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1659.745921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.745921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.745921 (E_RNA) where: Base-Base interactions energy: -1111.680 where: short stacking energy: -454.591 Base-Backbone interact. energy: -0.645 local terms energy: -547.420710 where: bonds (distance) C4'-P energy: -112.652 bonds (distance) P-C4' energy: -114.162 flat angles C4'-P-C4' energy: -106.042 flat angles P-C4'-P energy: -81.130 tors. eta vs tors. theta energy: -133.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1466.085410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.085410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.085410 (E_RNA) where: Base-Base interactions energy: -964.066 where: short stacking energy: -433.535 Base-Backbone interact. energy: -3.058 local terms energy: -498.961634 where: bonds (distance) C4'-P energy: -110.518 bonds (distance) P-C4' energy: -114.649 flat angles C4'-P-C4' energy: -106.059 flat angles P-C4'-P energy: -64.147 tors. eta vs tors. theta energy: -103.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1009.069735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.069735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.069735 (E_RNA) where: Base-Base interactions energy: -623.882 where: short stacking energy: -267.252 Base-Backbone interact. energy: -3.623 local terms energy: -381.564846 where: bonds (distance) C4'-P energy: -99.226 bonds (distance) P-C4' energy: -117.042 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -65.595 tors. eta vs tors. theta energy: -26.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -668.583628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.583628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.583628 (E_RNA) where: Base-Base interactions energy: -330.953 where: short stacking energy: -181.027 Base-Backbone interact. energy: 0.448 local terms energy: -338.078108 where: bonds (distance) C4'-P energy: -100.478 bonds (distance) P-C4' energy: -109.673 flat angles C4'-P-C4' energy: -84.715 flat angles P-C4'-P energy: -46.776 tors. eta vs tors. theta energy: 3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -459.217941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.217941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.217941 (E_RNA) where: Base-Base interactions energy: -153.973 where: short stacking energy: -131.013 Base-Backbone interact. energy: 2.087 local terms energy: -307.332664 where: bonds (distance) C4'-P energy: -87.480 bonds (distance) P-C4' energy: -97.791 flat angles C4'-P-C4' energy: -93.628 flat angles P-C4'-P energy: -50.794 tors. eta vs tors. theta energy: 22.361 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: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2114.232740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.232740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.232740 (E_RNA) where: Base-Base interactions energy: -1472.628 where: short stacking energy: -600.304 Base-Backbone interact. energy: 1.247 local terms energy: -642.851528 where: bonds (distance) C4'-P energy: -109.515 bonds (distance) P-C4' energy: -114.858 flat angles C4'-P-C4' energy: -140.333 flat angles P-C4'-P energy: -96.407 tors. eta vs tors. theta energy: -181.739 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: 4 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2056.492363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.492363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.492363 (E_RNA) where: Base-Base interactions energy: -1400.913 where: short stacking energy: -587.625 Base-Backbone interact. energy: 0.433 local terms energy: -656.013000 where: bonds (distance) C4'-P energy: -123.836 bonds (distance) P-C4' energy: -115.672 flat angles C4'-P-C4' energy: -143.105 flat angles P-C4'-P energy: -81.109 tors. eta vs tors. theta energy: -192.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1991.434156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.434156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.434156 (E_RNA) where: Base-Base interactions energy: -1362.508 where: short stacking energy: -552.714 Base-Backbone interact. energy: -3.799 local terms energy: -625.126590 where: bonds (distance) C4'-P energy: -110.266 bonds (distance) P-C4' energy: -122.658 flat angles C4'-P-C4' energy: -125.512 flat angles P-C4'-P energy: -96.377 tors. eta vs tors. theta energy: -170.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1849.192680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.192680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.192680 (E_RNA) where: Base-Base interactions energy: -1263.593 where: short stacking energy: -514.810 Base-Backbone interact. energy: -3.441 local terms energy: -582.159183 where: bonds (distance) C4'-P energy: -110.806 bonds (distance) P-C4' energy: -116.146 flat angles C4'-P-C4' energy: -125.319 flat angles P-C4'-P energy: -68.886 tors. eta vs tors. theta energy: -161.002 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: 3 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1787.567887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.567887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.567887 (E_RNA) where: Base-Base interactions energy: -1218.808 where: short stacking energy: -509.979 Base-Backbone interact. energy: -1.278 local terms energy: -567.481920 where: bonds (distance) C4'-P energy: -105.279 bonds (distance) P-C4' energy: -100.636 flat angles C4'-P-C4' energy: -126.642 flat angles P-C4'-P energy: -79.450 tors. eta vs tors. theta energy: -155.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1661.500844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.500844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.500844 (E_RNA) where: Base-Base interactions energy: -1099.496 where: short stacking energy: -458.110 Base-Backbone interact. energy: -0.298 local terms energy: -561.707724 where: bonds (distance) C4'-P energy: -108.930 bonds (distance) P-C4' energy: -114.002 flat angles C4'-P-C4' energy: -120.240 flat angles P-C4'-P energy: -78.045 tors. eta vs tors. theta energy: -140.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1443.280728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.280728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.280728 (E_RNA) where: Base-Base interactions energy: -944.476 where: short stacking energy: -392.355 Base-Backbone interact. energy: -0.761 local terms energy: -498.043186 where: bonds (distance) C4'-P energy: -108.823 bonds (distance) P-C4' energy: -105.413 flat angles C4'-P-C4' energy: -119.494 flat angles P-C4'-P energy: -68.248 tors. eta vs tors. theta energy: -96.065 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: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -979.102376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.102376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.102376 (E_RNA) where: Base-Base interactions energy: -577.903 where: short stacking energy: -270.516 Base-Backbone interact. energy: 0.973 local terms energy: -402.171763 where: bonds (distance) C4'-P energy: -109.275 bonds (distance) P-C4' energy: -104.841 flat angles C4'-P-C4' energy: -92.087 flat angles P-C4'-P energy: -48.224 tors. eta vs tors. theta energy: -47.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -641.406674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.406674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.406674 (E_RNA) where: Base-Base interactions energy: -303.755 where: short stacking energy: -182.811 Base-Backbone interact. energy: -2.504 local terms energy: -335.147453 where: bonds (distance) C4'-P energy: -82.929 bonds (distance) P-C4' energy: -104.607 flat angles C4'-P-C4' energy: -88.006 flat angles P-C4'-P energy: -65.378 tors. eta vs tors. theta energy: 5.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -457.832427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.832427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.832427 (E_RNA) where: Base-Base interactions energy: -162.508 where: short stacking energy: -130.785 Base-Backbone interact. energy: 4.793 local terms energy: -300.116608 where: bonds (distance) C4'-P energy: -85.479 bonds (distance) P-C4' energy: -108.228 flat angles C4'-P-C4' energy: -88.724 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: 29.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2112.043061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.043061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.043061 (E_RNA) where: Base-Base interactions energy: -1463.933 where: short stacking energy: -576.808 Base-Backbone interact. energy: -1.383 local terms energy: -646.727436 where: bonds (distance) C4'-P energy: -125.110 bonds (distance) P-C4' energy: -118.308 flat angles C4'-P-C4' energy: -137.170 flat angles P-C4'-P energy: -95.670 tors. eta vs tors. theta energy: -170.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2093.653358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.653358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.653358 (E_RNA) where: Base-Base interactions energy: -1423.768 where: short stacking energy: -609.655 Base-Backbone interact. energy: -1.774 local terms energy: -668.111256 where: bonds (distance) C4'-P energy: -120.390 bonds (distance) P-C4' energy: -124.356 flat angles C4'-P-C4' energy: -133.170 flat angles P-C4'-P energy: -96.532 tors. eta vs tors. theta energy: -193.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1977.059383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.059383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.059383 (E_RNA) where: Base-Base interactions energy: -1371.487 where: short stacking energy: -569.687 Base-Backbone interact. energy: -1.759 local terms energy: -603.813770 where: bonds (distance) C4'-P energy: -108.868 bonds (distance) P-C4' energy: -104.037 flat angles C4'-P-C4' energy: -128.453 flat angles P-C4'-P energy: -90.717 tors. eta vs tors. theta energy: -171.739 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: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1856.073009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.073009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.073009 (E_RNA) where: Base-Base interactions energy: -1258.284 where: short stacking energy: -552.321 Base-Backbone interact. energy: -1.432 local terms energy: -596.356988 where: bonds (distance) C4'-P energy: -112.464 bonds (distance) P-C4' energy: -109.716 flat angles C4'-P-C4' energy: -117.916 flat angles P-C4'-P energy: -73.183 tors. eta vs tors. theta energy: -183.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1785.388027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.388027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.388027 (E_RNA) where: Base-Base interactions energy: -1220.761 where: short stacking energy: -514.795 Base-Backbone interact. energy: -0.898 local terms energy: -563.728949 where: bonds (distance) C4'-P energy: -97.510 bonds (distance) P-C4' energy: -116.960 flat angles C4'-P-C4' energy: -108.026 flat angles P-C4'-P energy: -89.682 tors. eta vs tors. theta energy: -151.552 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: 2 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1602.131364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.131364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.131364 (E_RNA) where: Base-Base interactions energy: -1049.291 where: short stacking energy: -436.931 Base-Backbone interact. energy: -2.201 local terms energy: -550.638862 where: bonds (distance) C4'-P energy: -92.034 bonds (distance) P-C4' energy: -116.719 flat angles C4'-P-C4' energy: -122.216 flat angles P-C4'-P energy: -90.688 tors. eta vs tors. theta energy: -128.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1386.500745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.500745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.500745 (E_RNA) where: Base-Base interactions energy: -919.806 where: short stacking energy: -395.860 Base-Backbone interact. energy: -2.684 local terms energy: -464.010651 where: bonds (distance) C4'-P energy: -63.757 bonds (distance) P-C4' energy: -118.242 flat angles C4'-P-C4' energy: -99.704 flat angles P-C4'-P energy: -70.343 tors. eta vs tors. theta energy: -111.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -979.051571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.051571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.051571 (E_RNA) where: Base-Base interactions energy: -583.370 where: short stacking energy: -231.085 Base-Backbone interact. energy: -0.360 local terms energy: -395.322079 where: bonds (distance) C4'-P energy: -94.707 bonds (distance) P-C4' energy: -115.572 flat angles C4'-P-C4' energy: -86.315 flat angles P-C4'-P energy: -70.410 tors. eta vs tors. theta energy: -28.318 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: 8 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -605.322780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.322780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.322780 (E_RNA) where: Base-Base interactions energy: -262.440 where: short stacking energy: -149.080 Base-Backbone interact. energy: 0.840 local terms energy: -343.722908 where: bonds (distance) C4'-P energy: -95.430 bonds (distance) P-C4' energy: -105.778 flat angles C4'-P-C4' energy: -100.574 flat angles P-C4'-P energy: -59.064 tors. eta vs tors. theta energy: 17.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -526.560008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.560008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.560008 (E_RNA) where: Base-Base interactions energy: -208.812 where: short stacking energy: -129.329 Base-Backbone interact. energy: -1.421 local terms energy: -316.327689 where: bonds (distance) C4'-P energy: -105.001 bonds (distance) P-C4' energy: -97.057 flat angles C4'-P-C4' energy: -91.241 flat angles P-C4'-P energy: -47.725 tors. eta vs tors. theta energy: 24.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2108.694408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.694408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.694408 (E_RNA) where: Base-Base interactions energy: -1451.051 where: short stacking energy: -592.277 Base-Backbone interact. energy: -1.302 local terms energy: -656.341161 where: bonds (distance) C4'-P energy: -134.082 bonds (distance) P-C4' energy: -118.048 flat angles C4'-P-C4' energy: -140.031 flat angles P-C4'-P energy: -83.881 tors. eta vs tors. theta energy: -180.299 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: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2130.616281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.616281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.616281 (E_RNA) where: Base-Base interactions energy: -1456.874 where: short stacking energy: -612.957 Base-Backbone interact. energy: 1.047 local terms energy: -674.789210 where: bonds (distance) C4'-P energy: -126.438 bonds (distance) P-C4' energy: -113.566 flat angles C4'-P-C4' energy: -140.512 flat angles P-C4'-P energy: -95.681 tors. eta vs tors. theta energy: -198.592 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: 7 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2019.355787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.355787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.355787 (E_RNA) where: Base-Base interactions energy: -1375.328 where: short stacking energy: -563.739 Base-Backbone interact. energy: -1.081 local terms energy: -642.946830 where: bonds (distance) C4'-P energy: -120.599 bonds (distance) P-C4' energy: -132.787 flat angles C4'-P-C4' energy: -120.797 flat angles P-C4'-P energy: -80.141 tors. eta vs tors. theta energy: -188.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1884.136345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.136345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.136345 (E_RNA) where: Base-Base interactions energy: -1278.951 where: short stacking energy: -573.825 Base-Backbone interact. energy: 0.991 local terms energy: -606.176110 where: bonds (distance) C4'-P energy: -112.538 bonds (distance) P-C4' energy: -110.240 flat angles C4'-P-C4' energy: -128.666 flat angles P-C4'-P energy: -86.003 tors. eta vs tors. theta energy: -168.729 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: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1765.414903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.414903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.414903 (E_RNA) where: Base-Base interactions energy: -1193.372 where: short stacking energy: -500.198 Base-Backbone interact. energy: -1.214 local terms energy: -570.829363 where: bonds (distance) C4'-P energy: -117.987 bonds (distance) P-C4' energy: -109.588 flat angles C4'-P-C4' energy: -108.080 flat angles P-C4'-P energy: -86.036 tors. eta vs tors. theta energy: -149.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1652.084132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.084132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.084132 (E_RNA) where: Base-Base interactions energy: -1114.237 where: short stacking energy: -488.351 Base-Backbone interact. energy: 0.056 local terms energy: -537.903255 where: bonds (distance) C4'-P energy: -97.081 bonds (distance) P-C4' energy: -94.419 flat angles C4'-P-C4' energy: -129.973 flat angles P-C4'-P energy: -74.604 tors. eta vs tors. theta energy: -141.827 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: 7, replica: 10 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1409.368037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.368037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.368037 (E_RNA) where: Base-Base interactions energy: -937.797 where: short stacking energy: -408.841 Base-Backbone interact. energy: -0.769 local terms energy: -470.801077 where: bonds (distance) C4'-P energy: -92.326 bonds (distance) P-C4' energy: -95.545 flat angles C4'-P-C4' energy: -115.835 flat angles P-C4'-P energy: -72.575 tors. eta vs tors. theta energy: -94.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1068.174402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.174402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.174402 (E_RNA) where: Base-Base interactions energy: -670.673 where: short stacking energy: -299.961 Base-Backbone interact. energy: 8.583 local terms energy: -406.084120 where: bonds (distance) C4'-P energy: -115.121 bonds (distance) P-C4' energy: -93.533 flat angles C4'-P-C4' energy: -90.448 flat angles P-C4'-P energy: -58.587 tors. eta vs tors. theta energy: -48.394 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: 8 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -669.379636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.379636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.379636 (E_RNA) where: Base-Base interactions energy: -326.965 where: short stacking energy: -236.815 Base-Backbone interact. energy: 2.209 local terms energy: -344.624293 where: bonds (distance) C4'-P energy: -93.889 bonds (distance) P-C4' energy: -108.242 flat angles C4'-P-C4' energy: -82.039 flat angles P-C4'-P energy: -42.253 tors. eta vs tors. theta energy: -18.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -541.156512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.156512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.156512 (E_RNA) where: Base-Base interactions energy: -208.438 where: short stacking energy: -155.395 Base-Backbone interact. energy: -3.421 local terms energy: -329.297142 where: bonds (distance) C4'-P energy: -103.128 bonds (distance) P-C4' energy: -98.420 flat angles C4'-P-C4' energy: -95.144 flat angles P-C4'-P energy: -53.950 tors. eta vs tors. theta energy: 21.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2153.100533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.100533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.100533 (E_RNA) where: Base-Base interactions energy: -1506.389 where: short stacking energy: -595.963 Base-Backbone interact. energy: -2.503 local terms energy: -644.209166 where: bonds (distance) C4'-P energy: -113.044 bonds (distance) P-C4' energy: -121.558 flat angles C4'-P-C4' energy: -139.945 flat angles P-C4'-P energy: -97.316 tors. eta vs tors. theta energy: -172.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2120.311948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.311948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.311948 (E_RNA) where: Base-Base interactions energy: -1443.211 where: short stacking energy: -584.645 Base-Backbone interact. energy: -4.608 local terms energy: -672.492644 where: bonds (distance) C4'-P energy: -124.453 bonds (distance) P-C4' energy: -111.345 flat angles C4'-P-C4' energy: -143.315 flat angles P-C4'-P energy: -91.211 tors. eta vs tors. theta energy: -202.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2006.557396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.557396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.557396 (E_RNA) where: Base-Base interactions energy: -1391.550 where: short stacking energy: -582.818 Base-Backbone interact. energy: -2.030 local terms energy: -612.977350 where: bonds (distance) C4'-P energy: -112.707 bonds (distance) P-C4' energy: -109.314 flat angles C4'-P-C4' energy: -128.477 flat angles P-C4'-P energy: -79.758 tors. eta vs tors. theta energy: -182.722 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: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1846.265187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.265187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.265187 (E_RNA) where: Base-Base interactions energy: -1257.812 where: short stacking energy: -522.628 Base-Backbone interact. energy: -0.341 local terms energy: -588.111862 where: bonds (distance) C4'-P energy: -111.625 bonds (distance) P-C4' energy: -112.901 flat angles C4'-P-C4' energy: -121.583 flat angles P-C4'-P energy: -80.585 tors. eta vs tors. theta energy: -161.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1806.425086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.425086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.425086 (E_RNA) where: Base-Base interactions energy: -1249.563 where: short stacking energy: -522.870 Base-Backbone interact. energy: -2.653 local terms energy: -554.209788 where: bonds (distance) C4'-P energy: -95.456 bonds (distance) P-C4' energy: -108.163 flat angles C4'-P-C4' energy: -119.390 flat angles P-C4'-P energy: -81.599 tors. eta vs tors. theta energy: -149.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1613.045575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.045575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.045575 (E_RNA) where: Base-Base interactions energy: -1080.483 where: short stacking energy: -458.705 Base-Backbone interact. energy: 2.355 local terms energy: -534.917331 where: bonds (distance) C4'-P energy: -112.925 bonds (distance) P-C4' energy: -115.322 flat angles C4'-P-C4' energy: -101.301 flat angles P-C4'-P energy: -71.608 tors. eta vs tors. theta energy: -133.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1350.940355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.940355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.940355 (E_RNA) where: Base-Base interactions energy: -869.763 where: short stacking energy: -357.890 Base-Backbone interact. energy: -1.429 local terms energy: -479.748874 where: bonds (distance) C4'-P energy: -112.476 bonds (distance) P-C4' energy: -112.349 flat angles C4'-P-C4' energy: -112.492 flat angles P-C4'-P energy: -66.721 tors. eta vs tors. theta energy: -75.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1138.694685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.694685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.694685 (E_RNA) where: Base-Base interactions energy: -730.837 where: short stacking energy: -316.747 Base-Backbone interact. energy: -0.867 local terms energy: -406.991327 where: bonds (distance) C4'-P energy: -79.409 bonds (distance) P-C4' energy: -112.201 flat angles C4'-P-C4' energy: -95.185 flat angles P-C4'-P energy: -70.525 tors. eta vs tors. theta energy: -49.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -644.267397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.267397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.267397 (E_RNA) where: Base-Base interactions energy: -285.810 where: short stacking energy: -166.608 Base-Backbone interact. energy: 0.061 local terms energy: -358.518811 where: bonds (distance) C4'-P energy: -98.308 bonds (distance) P-C4' energy: -104.021 flat angles C4'-P-C4' energy: -96.189 flat angles P-C4'-P energy: -57.748 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -479.233456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.233456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.233456 (E_RNA) where: Base-Base interactions energy: -171.873 where: short stacking energy: -119.117 Base-Backbone interact. energy: 4.615 local terms energy: -311.976056 where: bonds (distance) C4'-P energy: -103.018 bonds (distance) P-C4' energy: -107.184 flat angles C4'-P-C4' energy: -73.520 flat angles P-C4'-P energy: -59.408 tors. eta vs tors. theta energy: 31.154 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: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2163.741862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.741862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.741862 (E_RNA) where: Base-Base interactions energy: -1509.913 where: short stacking energy: -604.496 Base-Backbone interact. energy: -1.978 local terms energy: -651.851307 where: bonds (distance) C4'-P energy: -125.352 bonds (distance) P-C4' energy: -122.016 flat angles C4'-P-C4' energy: -140.965 flat angles P-C4'-P energy: -84.596 tors. eta vs tors. theta energy: -178.921 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: 4 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2063.626480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.626480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.626480 (E_RNA) where: Base-Base interactions energy: -1401.702 where: short stacking energy: -587.086 Base-Backbone interact. energy: -4.442 local terms energy: -657.482159 where: bonds (distance) C4'-P energy: -123.060 bonds (distance) P-C4' energy: -112.415 flat angles C4'-P-C4' energy: -141.923 flat angles P-C4'-P energy: -94.710 tors. eta vs tors. theta energy: -185.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2005.513962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.513962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.513962 (E_RNA) where: Base-Base interactions energy: -1386.635 where: short stacking energy: -583.154 Base-Backbone interact. energy: -2.457 local terms energy: -616.421557 where: bonds (distance) C4'-P energy: -112.356 bonds (distance) P-C4' energy: -96.328 flat angles C4'-P-C4' energy: -137.209 flat angles P-C4'-P energy: -80.460 tors. eta vs tors. theta energy: -190.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1839.737711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.737711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.737711 (E_RNA) where: Base-Base interactions energy: -1256.037 where: short stacking energy: -547.016 Base-Backbone interact. energy: -2.165 local terms energy: -581.535149 where: bonds (distance) C4'-P energy: -107.086 bonds (distance) P-C4' energy: -112.056 flat angles C4'-P-C4' energy: -126.692 flat angles P-C4'-P energy: -73.607 tors. eta vs tors. theta energy: -162.094 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: 5, replica: 3 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1799.410113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.410113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.410113 (E_RNA) where: Base-Base interactions energy: -1195.742 where: short stacking energy: -479.776 Base-Backbone interact. energy: -0.188 local terms energy: -603.480585 where: bonds (distance) C4'-P energy: -104.350 bonds (distance) P-C4' energy: -126.522 flat angles C4'-P-C4' energy: -124.049 flat angles P-C4'-P energy: -90.611 tors. eta vs tors. theta energy: -157.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1581.462991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.462991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.462991 (E_RNA) where: Base-Base interactions energy: -1050.803 where: short stacking energy: -425.998 Base-Backbone interact. energy: -2.245 local terms energy: -528.414785 where: bonds (distance) C4'-P energy: -91.053 bonds (distance) P-C4' energy: -100.716 flat angles C4'-P-C4' energy: -123.363 flat angles P-C4'-P energy: -84.071 tors. eta vs tors. theta energy: -129.213 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: 7, replica: 10 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1407.276690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.276690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.276690 (E_RNA) where: Base-Base interactions energy: -931.766 where: short stacking energy: -381.545 Base-Backbone interact. energy: -1.827 local terms energy: -473.684063 where: bonds (distance) C4'-P energy: -98.309 bonds (distance) P-C4' energy: -107.686 flat angles C4'-P-C4' energy: -97.476 flat angles P-C4'-P energy: -69.353 tors. eta vs tors. theta energy: -100.859 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: 457 Temperature: 1.250000 Total energy: -1168.521719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.521719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.521719 (E_RNA) where: Base-Base interactions energy: -745.142 where: short stacking energy: -337.734 Base-Backbone interact. energy: -1.589 local terms energy: -421.791333 where: bonds (distance) C4'-P energy: -91.180 bonds (distance) P-C4' energy: -108.835 flat angles C4'-P-C4' energy: -106.633 flat angles P-C4'-P energy: -52.401 tors. eta vs tors. theta energy: -62.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -708.375106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.375106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.375106 (E_RNA) where: Base-Base interactions energy: -369.538 where: short stacking energy: -209.782 Base-Backbone interact. energy: -1.405 local terms energy: -337.431456 where: bonds (distance) C4'-P energy: -93.958 bonds (distance) P-C4' energy: -101.573 flat angles C4'-P-C4' energy: -97.011 flat angles P-C4'-P energy: -43.206 tors. eta vs tors. theta energy: -1.683 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: 10, replica: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -463.663295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.663295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.663295 (E_RNA) where: Base-Base interactions energy: -183.726 where: short stacking energy: -107.476 Base-Backbone interact. energy: 3.585 local terms energy: -283.522962 where: bonds (distance) C4'-P energy: -82.952 bonds (distance) P-C4' energy: -92.622 flat angles C4'-P-C4' energy: -100.578 flat angles P-C4'-P energy: -48.422 tors. eta vs tors. theta energy: 41.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2138.389904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.389904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.389904 (E_RNA) where: Base-Base interactions energy: -1497.439 where: short stacking energy: -602.933 Base-Backbone interact. energy: -0.856 local terms energy: -640.094888 where: bonds (distance) C4'-P energy: -120.091 bonds (distance) P-C4' energy: -123.852 flat angles C4'-P-C4' energy: -135.760 flat angles P-C4'-P energy: -82.695 tors. eta vs tors. theta energy: -177.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2099.253987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.253987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.253987 (E_RNA) where: Base-Base interactions energy: -1456.362 where: short stacking energy: -611.104 Base-Backbone interact. energy: -1.759 local terms energy: -641.132991 where: bonds (distance) C4'-P energy: -106.767 bonds (distance) P-C4' energy: -112.974 flat angles C4'-P-C4' energy: -134.755 flat angles P-C4'-P energy: -90.999 tors. eta vs tors. theta energy: -195.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2006.717589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.717589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.717589 (E_RNA) where: Base-Base interactions energy: -1381.138 where: short stacking energy: -546.087 Base-Backbone interact. energy: -3.622 local terms energy: -621.956924 where: bonds (distance) C4'-P energy: -110.148 bonds (distance) P-C4' energy: -111.154 flat angles C4'-P-C4' energy: -134.733 flat angles P-C4'-P energy: -83.575 tors. eta vs tors. theta energy: -182.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1863.668150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.668150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.668150 (E_RNA) where: Base-Base interactions energy: -1252.831 where: short stacking energy: -527.897 Base-Backbone interact. energy: -2.014 local terms energy: -608.823119 where: bonds (distance) C4'-P energy: -123.851 bonds (distance) P-C4' energy: -111.036 flat angles C4'-P-C4' energy: -131.251 flat angles P-C4'-P energy: -83.590 tors. eta vs tors. theta energy: -159.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1885.249153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.249153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.249153 (E_RNA) where: Base-Base interactions energy: -1271.227 where: short stacking energy: -541.969 Base-Backbone interact. energy: 1.501 local terms energy: -615.522916 where: bonds (distance) C4'-P energy: -108.782 bonds (distance) P-C4' energy: -124.557 flat angles C4'-P-C4' energy: -123.317 flat angles P-C4'-P energy: -84.865 tors. eta vs tors. theta energy: -174.001 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: 2 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1598.493733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.493733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.493733 (E_RNA) where: Base-Base interactions energy: -1093.416 where: short stacking energy: -466.416 Base-Backbone interact. energy: -1.145 local terms energy: -503.932754 where: bonds (distance) C4'-P energy: -92.046 bonds (distance) P-C4' energy: -92.250 flat angles C4'-P-C4' energy: -119.709 flat angles P-C4'-P energy: -74.149 tors. eta vs tors. theta energy: -125.779 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: 10 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1337.920989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.920989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.920989 (E_RNA) where: Base-Base interactions energy: -854.086 where: short stacking energy: -376.615 Base-Backbone interact. energy: -0.931 local terms energy: -482.904311 where: bonds (distance) C4'-P energy: -108.944 bonds (distance) P-C4' energy: -106.214 flat angles C4'-P-C4' energy: -108.850 flat angles P-C4'-P energy: -56.240 tors. eta vs tors. theta energy: -102.656 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: 8, replica: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1081.797312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.797312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.797312 (E_RNA) where: Base-Base interactions energy: -648.507 where: short stacking energy: -301.943 Base-Backbone interact. energy: 1.743 local terms energy: -435.033496 where: bonds (distance) C4'-P energy: -103.573 bonds (distance) P-C4' energy: -99.143 flat angles C4'-P-C4' energy: -103.705 flat angles P-C4'-P energy: -73.313 tors. eta vs tors. theta energy: -55.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -670.075442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.075442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.075442 (E_RNA) where: Base-Base interactions energy: -361.628 where: short stacking energy: -191.875 Base-Backbone interact. energy: 4.045 local terms energy: -312.492750 where: bonds (distance) C4'-P energy: -81.355 bonds (distance) P-C4' energy: -85.363 flat angles C4'-P-C4' energy: -95.156 flat angles P-C4'-P energy: -49.344 tors. eta vs tors. theta energy: -1.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -450.498929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.498929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.498929 (E_RNA) where: Base-Base interactions energy: -153.798 where: short stacking energy: -118.362 Base-Backbone interact. energy: 2.149 local terms energy: -298.850625 where: bonds (distance) C4'-P energy: -103.627 bonds (distance) P-C4' energy: -103.633 flat angles C4'-P-C4' energy: -66.062 flat angles P-C4'-P energy: -40.076 tors. eta vs tors. theta energy: 14.548 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: 1 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2129.964459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.964459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.964459 (E_RNA) where: Base-Base interactions energy: -1475.605 where: short stacking energy: -596.201 Base-Backbone interact. energy: -2.628 local terms energy: -651.731551 where: bonds (distance) C4'-P energy: -124.744 bonds (distance) P-C4' energy: -106.892 flat angles C4'-P-C4' energy: -147.659 flat angles P-C4'-P energy: -99.273 tors. eta vs tors. theta energy: -173.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2098.575259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.575259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.575259 (E_RNA) where: Base-Base interactions energy: -1441.382 where: short stacking energy: -608.914 Base-Backbone interact. energy: -2.309 local terms energy: -654.884549 where: bonds (distance) C4'-P energy: -119.082 bonds (distance) P-C4' energy: -110.782 flat angles C4'-P-C4' energy: -142.743 flat angles P-C4'-P energy: -89.732 tors. eta vs tors. theta energy: -192.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2010.128956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.128956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.128956 (E_RNA) where: Base-Base interactions energy: -1370.616 where: short stacking energy: -555.014 Base-Backbone interact. energy: -2.357 local terms energy: -637.156395 where: bonds (distance) C4'-P energy: -119.620 bonds (distance) P-C4' energy: -111.920 flat angles C4'-P-C4' energy: -130.865 flat angles P-C4'-P energy: -97.741 tors. eta vs tors. theta energy: -177.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1856.362112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.362112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.362112 (E_RNA) where: Base-Base interactions energy: -1260.676 where: short stacking energy: -537.944 Base-Backbone interact. energy: -1.429 local terms energy: -594.256947 where: bonds (distance) C4'-P energy: -100.490 bonds (distance) P-C4' energy: -123.132 flat angles C4'-P-C4' energy: -113.260 flat angles P-C4'-P energy: -92.865 tors. eta vs tors. theta energy: -164.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1816.249600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.249600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.249600 (E_RNA) where: Base-Base interactions energy: -1232.876 where: short stacking energy: -532.094 Base-Backbone interact. energy: 3.735 local terms energy: -587.108420 where: bonds (distance) C4'-P energy: -111.755 bonds (distance) P-C4' energy: -108.710 flat angles C4'-P-C4' energy: -117.945 flat angles P-C4'-P energy: -87.045 tors. eta vs tors. theta energy: -161.653 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: 2 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1594.058548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.058548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.058548 (E_RNA) where: Base-Base interactions energy: -1044.883 where: short stacking energy: -432.359 Base-Backbone interact. energy: -0.960 local terms energy: -548.214857 where: bonds (distance) C4'-P energy: -110.051 bonds (distance) P-C4' energy: -108.132 flat angles C4'-P-C4' energy: -111.319 flat angles P-C4'-P energy: -83.146 tors. eta vs tors. theta energy: -135.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1375.412739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.412739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.412739 (E_RNA) where: Base-Base interactions energy: -865.675 where: short stacking energy: -347.291 Base-Backbone interact. energy: 0.018 local terms energy: -509.755246 where: bonds (distance) C4'-P energy: -116.937 bonds (distance) P-C4' energy: -112.014 flat angles C4'-P-C4' energy: -118.513 flat angles P-C4'-P energy: -76.006 tors. eta vs tors. theta energy: -86.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1047.441229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.441229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.441229 (E_RNA) where: Base-Base interactions energy: -642.971 where: short stacking energy: -290.899 Base-Backbone interact. energy: 0.627 local terms energy: -405.097357 where: bonds (distance) C4'-P energy: -104.554 bonds (distance) P-C4' energy: -124.637 flat angles C4'-P-C4' energy: -94.598 flat angles P-C4'-P energy: -48.598 tors. eta vs tors. theta energy: -32.710 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: 8 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -607.395539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.395539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.395539 (E_RNA) where: Base-Base interactions energy: -283.823 where: short stacking energy: -179.485 Base-Backbone interact. energy: -1.089 local terms energy: -322.483031 where: bonds (distance) C4'-P energy: -105.226 bonds (distance) P-C4' energy: -102.685 flat angles C4'-P-C4' energy: -81.239 flat angles P-C4'-P energy: -47.748 tors. eta vs tors. theta energy: 14.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -484.783133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.783133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.783133 (E_RNA) where: Base-Base interactions energy: -159.828 where: short stacking energy: -139.199 Base-Backbone interact. energy: 3.410 local terms energy: -328.365352 where: bonds (distance) C4'-P energy: -106.420 bonds (distance) P-C4' energy: -106.978 flat angles C4'-P-C4' energy: -89.284 flat angles P-C4'-P energy: -33.362 tors. eta vs tors. theta energy: 7.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2123.451983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.451983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.451983 (E_RNA) where: Base-Base interactions energy: -1493.788 where: short stacking energy: -585.986 Base-Backbone interact. energy: -6.636 local terms energy: -623.028063 where: bonds (distance) C4'-P energy: -121.664 bonds (distance) P-C4' energy: -116.874 flat angles C4'-P-C4' energy: -137.921 flat angles P-C4'-P energy: -87.871 tors. eta vs tors. theta energy: -158.698 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: 4 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2118.348036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.348036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.348036 (E_RNA) where: Base-Base interactions energy: -1466.175 where: short stacking energy: -620.799 Base-Backbone interact. energy: 0.127 local terms energy: -652.299528 where: bonds (distance) C4'-P energy: -109.301 bonds (distance) P-C4' energy: -119.479 flat angles C4'-P-C4' energy: -143.873 flat angles P-C4'-P energy: -88.840 tors. eta vs tors. theta energy: -190.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2014.636737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.636737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.636737 (E_RNA) where: Base-Base interactions energy: -1357.248 where: short stacking energy: -585.714 Base-Backbone interact. energy: -3.513 local terms energy: -653.875488 where: bonds (distance) C4'-P energy: -119.131 bonds (distance) P-C4' energy: -124.622 flat angles C4'-P-C4' energy: -142.088 flat angles P-C4'-P energy: -83.628 tors. eta vs tors. theta energy: -184.406 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: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1819.641091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.641091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.641091 (E_RNA) where: Base-Base interactions energy: -1215.954 where: short stacking energy: -511.501 Base-Backbone interact. energy: -1.155 local terms energy: -602.532093 where: bonds (distance) C4'-P energy: -115.415 bonds (distance) P-C4' energy: -114.920 flat angles C4'-P-C4' energy: -128.514 flat angles P-C4'-P energy: -78.700 tors. eta vs tors. theta energy: -164.982 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: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1738.727637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.727637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.727637 (E_RNA) where: Base-Base interactions energy: -1182.307 where: short stacking energy: -498.167 Base-Backbone interact. energy: -1.643 local terms energy: -554.777639 where: bonds (distance) C4'-P energy: -112.770 bonds (distance) P-C4' energy: -101.301 flat angles C4'-P-C4' energy: -118.289 flat angles P-C4'-P energy: -80.780 tors. eta vs tors. theta energy: -141.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1719.560320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.560320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.560320 (E_RNA) where: Base-Base interactions energy: -1164.830 where: short stacking energy: -484.608 Base-Backbone interact. energy: -0.146 local terms energy: -554.584569 where: bonds (distance) C4'-P energy: -98.314 bonds (distance) P-C4' energy: -103.531 flat angles C4'-P-C4' energy: -120.371 flat angles P-C4'-P energy: -89.964 tors. eta vs tors. theta energy: -142.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1388.907475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.907475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.907475 (E_RNA) where: Base-Base interactions energy: -895.764 where: short stacking energy: -386.615 Base-Backbone interact. energy: 1.110 local terms energy: -494.253378 where: bonds (distance) C4'-P energy: -99.855 bonds (distance) P-C4' energy: -103.432 flat angles C4'-P-C4' energy: -115.722 flat angles P-C4'-P energy: -80.030 tors. eta vs tors. theta energy: -95.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1099.898023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.898023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.898023 (E_RNA) where: Base-Base interactions energy: -686.220 where: short stacking energy: -283.338 Base-Backbone interact. energy: -1.424 local terms energy: -412.253251 where: bonds (distance) C4'-P energy: -100.602 bonds (distance) P-C4' energy: -104.749 flat angles C4'-P-C4' energy: -103.271 flat angles P-C4'-P energy: -68.904 tors. eta vs tors. theta energy: -34.727 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: 8 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -631.172675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.172675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.172675 (E_RNA) where: Base-Base interactions energy: -280.387 where: short stacking energy: -181.079 Base-Backbone interact. energy: -4.749 local terms energy: -346.036612 where: bonds (distance) C4'-P energy: -100.441 bonds (distance) P-C4' energy: -93.807 flat angles C4'-P-C4' energy: -88.639 flat angles P-C4'-P energy: -65.395 tors. eta vs tors. theta energy: 2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -480.012896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.012896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.012896 (E_RNA) where: Base-Base interactions energy: -168.560 where: short stacking energy: -136.351 Base-Backbone interact. energy: 0.356 local terms energy: -311.809016 where: bonds (distance) C4'-P energy: -110.472 bonds (distance) P-C4' energy: -106.530 flat angles C4'-P-C4' energy: -66.547 flat angles P-C4'-P energy: -45.184 tors. eta vs tors. theta energy: 16.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2132.982539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.982539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.982539 (E_RNA) where: Base-Base interactions energy: -1470.522 where: short stacking energy: -604.358 Base-Backbone interact. energy: -1.292 local terms energy: -661.168784 where: bonds (distance) C4'-P energy: -119.117 bonds (distance) P-C4' energy: -125.055 flat angles C4'-P-C4' energy: -132.022 flat angles P-C4'-P energy: -97.629 tors. eta vs tors. theta energy: -187.344 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: 4 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2098.487866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.487866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.487866 (E_RNA) where: Base-Base interactions energy: -1429.060 where: short stacking energy: -608.409 Base-Backbone interact. energy: -2.832 local terms energy: -666.596618 where: bonds (distance) C4'-P energy: -120.059 bonds (distance) P-C4' energy: -130.277 flat angles C4'-P-C4' energy: -133.958 flat angles P-C4'-P energy: -88.487 tors. eta vs tors. theta energy: -193.816 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: 7 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2005.553289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.553289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.553289 (E_RNA) where: Base-Base interactions energy: -1396.334 where: short stacking energy: -566.945 Base-Backbone interact. energy: 0.232 local terms energy: -609.451773 where: bonds (distance) C4'-P energy: -117.824 bonds (distance) P-C4' energy: -98.683 flat angles C4'-P-C4' energy: -116.992 flat angles P-C4'-P energy: -90.007 tors. eta vs tors. theta energy: -185.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1859.156844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.156844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.156844 (E_RNA) where: Base-Base interactions energy: -1277.005 where: short stacking energy: -530.707 Base-Backbone interact. energy: -2.645 local terms energy: -579.507474 where: bonds (distance) C4'-P energy: -120.126 bonds (distance) P-C4' energy: -107.442 flat angles C4'-P-C4' energy: -110.692 flat angles P-C4'-P energy: -79.815 tors. eta vs tors. theta energy: -161.433 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: 5, replica: 5 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1782.007772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.007772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.007772 (E_RNA) where: Base-Base interactions energy: -1207.913 where: short stacking energy: -508.939 Base-Backbone interact. energy: -1.622 local terms energy: -572.473084 where: bonds (distance) C4'-P energy: -105.314 bonds (distance) P-C4' energy: -115.933 flat angles C4'-P-C4' energy: -118.739 flat angles P-C4'-P energy: -78.094 tors. eta vs tors. theta energy: -154.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1657.096881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.096881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.096881 (E_RNA) where: Base-Base interactions energy: -1110.776 where: short stacking energy: -490.368 Base-Backbone interact. energy: 0.861 local terms energy: -547.181930 where: bonds (distance) C4'-P energy: -108.177 bonds (distance) P-C4' energy: -104.624 flat angles C4'-P-C4' energy: -117.055 flat angles P-C4'-P energy: -75.990 tors. eta vs tors. theta energy: -141.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1431.436695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.436695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.436695 (E_RNA) where: Base-Base interactions energy: -946.148 where: short stacking energy: -399.181 Base-Backbone interact. energy: 5.846 local terms energy: -491.134883 where: bonds (distance) C4'-P energy: -91.484 bonds (distance) P-C4' energy: -115.583 flat angles C4'-P-C4' energy: -118.905 flat angles P-C4'-P energy: -66.079 tors. eta vs tors. theta energy: -99.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1112.964555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.964555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.964555 (E_RNA) where: Base-Base interactions energy: -712.645 where: short stacking energy: -327.661 Base-Backbone interact. energy: -2.962 local terms energy: -397.356995 where: bonds (distance) C4'-P energy: -86.332 bonds (distance) P-C4' energy: -110.394 flat angles C4'-P-C4' energy: -79.120 flat angles P-C4'-P energy: -66.624 tors. eta vs tors. theta energy: -54.888 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: 8 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -639.180910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.180910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.180910 (E_RNA) where: Base-Base interactions energy: -300.289 where: short stacking energy: -189.789 Base-Backbone interact. energy: 1.617 local terms energy: -340.508523 where: bonds (distance) C4'-P energy: -89.328 bonds (distance) P-C4' energy: -109.420 flat angles C4'-P-C4' energy: -78.470 flat angles P-C4'-P energy: -66.396 tors. eta vs tors. theta energy: 3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -460.515312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.515312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.515312 (E_RNA) where: Base-Base interactions energy: -162.948 where: short stacking energy: -132.915 Base-Backbone interact. energy: -2.140 local terms energy: -295.427222 where: bonds (distance) C4'-P energy: -96.894 bonds (distance) P-C4' energy: -102.361 flat angles C4'-P-C4' energy: -60.745 flat angles P-C4'-P energy: -56.130 tors. eta vs tors. theta energy: 20.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2135.934789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.934789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.934789 (E_RNA) where: Base-Base interactions energy: -1495.564 where: short stacking energy: -624.093 Base-Backbone interact. energy: 1.304 local terms energy: -641.674649 where: bonds (distance) C4'-P energy: -113.894 bonds (distance) P-C4' energy: -127.187 flat angles C4'-P-C4' energy: -130.676 flat angles P-C4'-P energy: -88.329 tors. eta vs tors. theta energy: -181.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2113.121614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.121614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.121614 (E_RNA) where: Base-Base interactions energy: -1445.791 where: short stacking energy: -605.614 Base-Backbone interact. energy: -0.393 local terms energy: -666.938119 where: bonds (distance) C4'-P energy: -114.384 bonds (distance) P-C4' energy: -125.824 flat angles C4'-P-C4' energy: -137.441 flat angles P-C4'-P energy: -89.553 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: 7 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1999.239541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.239541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.239541 (E_RNA) where: Base-Base interactions energy: -1360.181 where: short stacking energy: -567.091 Base-Backbone interact. energy: 0.200 local terms energy: -639.258387 where: bonds (distance) C4'-P energy: -108.286 bonds (distance) P-C4' energy: -120.574 flat angles C4'-P-C4' energy: -146.895 flat angles P-C4'-P energy: -82.870 tors. eta vs tors. theta energy: -180.634 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: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1859.744799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.744799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.744799 (E_RNA) where: Base-Base interactions energy: -1272.689 where: short stacking energy: -510.082 Base-Backbone interact. energy: 2.650 local terms energy: -589.705664 where: bonds (distance) C4'-P energy: -114.501 bonds (distance) P-C4' energy: -126.085 flat angles C4'-P-C4' energy: -114.338 flat angles P-C4'-P energy: -74.698 tors. eta vs tors. theta energy: -160.083 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: 5 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1736.418264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.418264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.418264 (E_RNA) where: Base-Base interactions energy: -1147.979 where: short stacking energy: -491.211 Base-Backbone interact. energy: 1.086 local terms energy: -589.525637 where: bonds (distance) C4'-P energy: -108.590 bonds (distance) P-C4' energy: -110.163 flat angles C4'-P-C4' energy: -139.375 flat angles P-C4'-P energy: -89.310 tors. eta vs tors. theta energy: -142.088 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: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1615.712133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.712133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.712133 (E_RNA) where: Base-Base interactions energy: -1100.553 where: short stacking energy: -476.908 Base-Backbone interact. energy: -1.438 local terms energy: -513.720914 where: bonds (distance) C4'-P energy: -102.309 bonds (distance) P-C4' energy: -106.980 flat angles C4'-P-C4' energy: -114.239 flat angles P-C4'-P energy: -63.073 tors. eta vs tors. theta energy: -127.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1460.606793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.606793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.606793 (E_RNA) where: Base-Base interactions energy: -964.908 where: short stacking energy: -429.724 Base-Backbone interact. energy: 0.796 local terms energy: -496.495376 where: bonds (distance) C4'-P energy: -90.315 bonds (distance) P-C4' energy: -114.178 flat angles C4'-P-C4' energy: -113.418 flat angles P-C4'-P energy: -72.940 tors. eta vs tors. theta energy: -105.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1029.826409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.826409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.826409 (E_RNA) where: Base-Base interactions energy: -642.717 where: short stacking energy: -278.765 Base-Backbone interact. energy: -0.002 local terms energy: -387.108171 where: bonds (distance) C4'-P energy: -102.114 bonds (distance) P-C4' energy: -102.944 flat angles C4'-P-C4' energy: -105.872 flat angles P-C4'-P energy: -46.136 tors. eta vs tors. theta energy: -30.042 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: 8 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -609.574379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.574379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.574379 (E_RNA) where: Base-Base interactions energy: -279.721 where: short stacking energy: -185.894 Base-Backbone interact. energy: -1.693 local terms energy: -328.160247 where: bonds (distance) C4'-P energy: -79.106 bonds (distance) P-C4' energy: -97.237 flat angles C4'-P-C4' energy: -99.591 flat angles P-C4'-P energy: -41.227 tors. eta vs tors. theta energy: -11.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -526.980380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.980380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.980380 (E_RNA) where: Base-Base interactions energy: -206.683 where: short stacking energy: -161.930 Base-Backbone interact. energy: 1.930 local terms energy: -322.227477 where: bonds (distance) C4'-P energy: -94.423 bonds (distance) P-C4' energy: -99.954 flat angles C4'-P-C4' energy: -97.071 flat angles P-C4'-P energy: -42.400 tors. eta vs tors. theta energy: 11.621 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: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2126.685712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.685712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.685712 (E_RNA) where: Base-Base interactions energy: -1475.771 where: short stacking energy: -598.708 Base-Backbone interact. energy: -1.195 local terms energy: -649.719280 where: bonds (distance) C4'-P energy: -112.320 bonds (distance) P-C4' energy: -138.307 flat angles C4'-P-C4' energy: -129.293 flat angles P-C4'-P energy: -98.870 tors. eta vs tors. theta energy: -170.930 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: 2, replica: 4 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2106.551912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.551912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.551912 (E_RNA) where: Base-Base interactions energy: -1451.584 where: short stacking energy: -592.693 Base-Backbone interact. energy: -7.392 local terms energy: -647.575941 where: bonds (distance) C4'-P energy: -119.000 bonds (distance) P-C4' energy: -115.572 flat angles C4'-P-C4' energy: -136.330 flat angles P-C4'-P energy: -83.603 tors. eta vs tors. theta energy: -193.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1993.267503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.267503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.267503 (E_RNA) where: Base-Base interactions energy: -1356.504 where: short stacking energy: -579.994 Base-Backbone interact. energy: -2.774 local terms energy: -633.989598 where: bonds (distance) C4'-P energy: -110.866 bonds (distance) P-C4' energy: -115.328 flat angles C4'-P-C4' energy: -142.975 flat angles P-C4'-P energy: -88.797 tors. eta vs tors. theta energy: -176.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1880.193144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.193144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.193144 (E_RNA) where: Base-Base interactions energy: -1266.444 where: short stacking energy: -519.863 Base-Backbone interact. energy: -2.575 local terms energy: -611.173994 where: bonds (distance) C4'-P energy: -115.595 bonds (distance) P-C4' energy: -117.204 flat angles C4'-P-C4' energy: -125.827 flat angles P-C4'-P energy: -100.113 tors. eta vs tors. theta energy: -152.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1752.452504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.452504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.452504 (E_RNA) where: Base-Base interactions energy: -1162.232 where: short stacking energy: -492.633 Base-Backbone interact. energy: -2.152 local terms energy: -588.068791 where: bonds (distance) C4'-P energy: -108.616 bonds (distance) P-C4' energy: -119.538 flat angles C4'-P-C4' energy: -129.411 flat angles P-C4'-P energy: -77.728 tors. eta vs tors. theta energy: -152.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1654.962156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.962156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.962156 (E_RNA) where: Base-Base interactions energy: -1095.445 where: short stacking energy: -455.797 Base-Backbone interact. energy: -3.593 local terms energy: -555.924206 where: bonds (distance) C4'-P energy: -119.754 bonds (distance) P-C4' energy: -107.362 flat angles C4'-P-C4' energy: -128.620 flat angles P-C4'-P energy: -75.820 tors. eta vs tors. theta energy: -124.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1435.335690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.335690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.335690 (E_RNA) where: Base-Base interactions energy: -915.859 where: short stacking energy: -405.526 Base-Backbone interact. energy: -2.230 local terms energy: -517.246973 where: bonds (distance) C4'-P energy: -112.948 bonds (distance) P-C4' energy: -120.029 flat angles C4'-P-C4' energy: -104.775 flat angles P-C4'-P energy: -70.142 tors. eta vs tors. theta energy: -109.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1054.635131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.635131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.635131 (E_RNA) where: Base-Base interactions energy: -637.353 where: short stacking energy: -273.281 Base-Backbone interact. energy: -3.666 local terms energy: -413.615423 where: bonds (distance) C4'-P energy: -97.525 bonds (distance) P-C4' energy: -97.984 flat angles C4'-P-C4' energy: -105.826 flat angles P-C4'-P energy: -68.190 tors. eta vs tors. theta energy: -44.090 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: 8 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -620.115176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.115176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.115176 (E_RNA) where: Base-Base interactions energy: -298.458 where: short stacking energy: -166.106 Base-Backbone interact. energy: 4.255 local terms energy: -325.912430 where: bonds (distance) C4'-P energy: -102.328 bonds (distance) P-C4' energy: -100.658 flat angles C4'-P-C4' energy: -87.167 flat angles P-C4'-P energy: -40.040 tors. eta vs tors. theta energy: 4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -485.134576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.134576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.134576 (E_RNA) where: Base-Base interactions energy: -170.901 where: short stacking energy: -132.866 Base-Backbone interact. energy: -0.411 local terms energy: -313.822238 where: bonds (distance) C4'-P energy: -90.500 bonds (distance) P-C4' energy: -95.778 flat angles C4'-P-C4' energy: -77.421 flat angles P-C4'-P energy: -62.382 tors. eta vs tors. theta energy: 12.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2135.368761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.368761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.368761 (E_RNA) where: Base-Base interactions energy: -1482.001 where: short stacking energy: -641.779 Base-Backbone interact. energy: 4.735 local terms energy: -658.102697 where: bonds (distance) C4'-P energy: -117.520 bonds (distance) P-C4' energy: -127.685 flat angles C4'-P-C4' energy: -130.978 flat angles P-C4'-P energy: -92.668 tors. eta vs tors. theta energy: -189.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2118.779973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.779973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.779973 (E_RNA) where: Base-Base interactions energy: -1460.618 where: short stacking energy: -602.860 Base-Backbone interact. energy: -2.988 local terms energy: -655.174648 where: bonds (distance) C4'-P energy: -119.109 bonds (distance) P-C4' energy: -130.566 flat angles C4'-P-C4' energy: -134.048 flat angles P-C4'-P energy: -85.067 tors. eta vs tors. theta energy: -186.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1955.954669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.954669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.954669 (E_RNA) where: Base-Base interactions energy: -1336.221 where: short stacking energy: -555.748 Base-Backbone interact. energy: -3.017 local terms energy: -616.716779 where: bonds (distance) C4'-P energy: -102.351 bonds (distance) P-C4' energy: -121.626 flat angles C4'-P-C4' energy: -134.890 flat angles P-C4'-P energy: -87.703 tors. eta vs tors. theta energy: -170.146 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: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1853.338019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.338019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.338019 (E_RNA) where: Base-Base interactions energy: -1271.750 where: short stacking energy: -519.481 Base-Backbone interact. energy: -2.266 local terms energy: -579.321750 where: bonds (distance) C4'-P energy: -94.625 bonds (distance) P-C4' energy: -117.051 flat angles C4'-P-C4' energy: -120.599 flat angles P-C4'-P energy: -93.208 tors. eta vs tors. theta energy: -153.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1719.000115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.000115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.000115 (E_RNA) where: Base-Base interactions energy: -1147.865 where: short stacking energy: -487.631 Base-Backbone interact. energy: 0.687 local terms energy: -571.822766 where: bonds (distance) C4'-P energy: -115.883 bonds (distance) P-C4' energy: -105.800 flat angles C4'-P-C4' energy: -116.122 flat angles P-C4'-P energy: -80.933 tors. eta vs tors. theta energy: -153.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1611.491264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.491264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.491264 (E_RNA) where: Base-Base interactions energy: -1041.128 where: short stacking energy: -457.227 Base-Backbone interact. energy: -3.068 local terms energy: -567.295048 where: bonds (distance) C4'-P energy: -114.364 bonds (distance) P-C4' energy: -126.623 flat angles C4'-P-C4' energy: -127.078 flat angles P-C4'-P energy: -66.596 tors. eta vs tors. theta energy: -132.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1398.672139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.672139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.672139 (E_RNA) where: Base-Base interactions energy: -935.874 where: short stacking energy: -380.882 Base-Backbone interact. energy: -3.669 local terms energy: -459.129460 where: bonds (distance) C4'-P energy: -104.966 bonds (distance) P-C4' energy: -105.843 flat angles C4'-P-C4' energy: -95.832 flat angles P-C4'-P energy: -53.852 tors. eta vs tors. theta energy: -98.637 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: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1029.409206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.409206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.409206 (E_RNA) where: Base-Base interactions energy: -622.225 where: short stacking energy: -301.540 Base-Backbone interact. energy: -4.028 local terms energy: -403.156560 where: bonds (distance) C4'-P energy: -110.089 bonds (distance) P-C4' energy: -111.637 flat angles C4'-P-C4' energy: -90.424 flat angles P-C4'-P energy: -59.865 tors. eta vs tors. theta energy: -31.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -691.340736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.340736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.340736 (E_RNA) where: Base-Base interactions energy: -321.690 where: short stacking energy: -202.491 Base-Backbone interact. energy: 6.588 local terms energy: -376.239110 where: bonds (distance) C4'-P energy: -96.335 bonds (distance) P-C4' energy: -120.026 flat angles C4'-P-C4' energy: -100.190 flat angles P-C4'-P energy: -43.909 tors. eta vs tors. theta energy: -15.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -449.808890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.808890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.808890 (E_RNA) where: Base-Base interactions energy: -161.279 where: short stacking energy: -111.029 Base-Backbone interact. energy: 1.642 local terms energy: -290.171281 where: bonds (distance) C4'-P energy: -85.419 bonds (distance) P-C4' energy: -101.974 flat angles C4'-P-C4' energy: -74.435 flat angles P-C4'-P energy: -42.323 tors. eta vs tors. theta energy: 13.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2167.145604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.145604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.145604 (E_RNA) where: Base-Base interactions energy: -1501.944 where: short stacking energy: -630.409 Base-Backbone interact. energy: -5.072 local terms energy: -660.128830 where: bonds (distance) C4'-P energy: -119.147 bonds (distance) P-C4' energy: -117.811 flat angles C4'-P-C4' energy: -139.487 flat angles P-C4'-P energy: -97.307 tors. eta vs tors. theta energy: -186.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2104.435804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.435804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.435804 (E_RNA) where: Base-Base interactions energy: -1446.638 where: short stacking energy: -580.348 Base-Backbone interact. energy: -0.850 local terms energy: -656.947653 where: bonds (distance) C4'-P energy: -126.943 bonds (distance) P-C4' energy: -119.307 flat angles C4'-P-C4' energy: -140.913 flat angles P-C4'-P energy: -92.152 tors. eta vs tors. theta energy: -177.633 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: 7 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1980.043405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.043405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.043405 (E_RNA) where: Base-Base interactions energy: -1371.918 where: short stacking energy: -557.141 Base-Backbone interact. energy: -1.287 local terms energy: -606.838330 where: bonds (distance) C4'-P energy: -102.042 bonds (distance) P-C4' energy: -117.340 flat angles C4'-P-C4' energy: -121.912 flat angles P-C4'-P energy: -94.273 tors. eta vs tors. theta energy: -171.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1855.859749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.859749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.859749 (E_RNA) where: Base-Base interactions energy: -1265.156 where: short stacking energy: -510.911 Base-Backbone interact. energy: 0.981 local terms energy: -591.684787 where: bonds (distance) C4'-P energy: -111.656 bonds (distance) P-C4' energy: -130.701 flat angles C4'-P-C4' energy: -115.671 flat angles P-C4'-P energy: -81.712 tors. eta vs tors. theta energy: -151.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1708.795350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.795350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.795350 (E_RNA) where: Base-Base interactions energy: -1161.272 where: short stacking energy: -487.576 Base-Backbone interact. energy: 2.416 local terms energy: -549.940256 where: bonds (distance) C4'-P energy: -96.626 bonds (distance) P-C4' energy: -109.251 flat angles C4'-P-C4' energy: -115.492 flat angles P-C4'-P energy: -76.803 tors. eta vs tors. theta energy: -151.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1623.213346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.213346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.213346 (E_RNA) where: Base-Base interactions energy: -1093.003 where: short stacking energy: -472.706 Base-Backbone interact. energy: -0.746 local terms energy: -529.464415 where: bonds (distance) C4'-P energy: -99.970 bonds (distance) P-C4' energy: -103.020 flat angles C4'-P-C4' energy: -115.698 flat angles P-C4'-P energy: -66.248 tors. eta vs tors. theta energy: -144.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1417.997733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.997733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.997733 (E_RNA) where: Base-Base interactions energy: -916.766 where: short stacking energy: -374.551 Base-Backbone interact. energy: 0.935 local terms energy: -502.166135 where: bonds (distance) C4'-P energy: -95.103 bonds (distance) P-C4' energy: -122.563 flat angles C4'-P-C4' energy: -113.504 flat angles P-C4'-P energy: -72.205 tors. eta vs tors. theta energy: -98.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1024.664757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.664757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.664757 (E_RNA) where: Base-Base interactions energy: -579.313 where: short stacking energy: -280.556 Base-Backbone interact. energy: 1.864 local terms energy: -447.215428 where: bonds (distance) C4'-P energy: -94.910 bonds (distance) P-C4' energy: -115.718 flat angles C4'-P-C4' energy: -109.443 flat angles P-C4'-P energy: -68.556 tors. eta vs tors. theta energy: -58.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -665.562461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.562461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.562461 (E_RNA) where: Base-Base interactions energy: -299.647 where: short stacking energy: -193.213 Base-Backbone interact. energy: 1.562 local terms energy: -367.476938 where: bonds (distance) C4'-P energy: -111.105 bonds (distance) P-C4' energy: -104.892 flat angles C4'-P-C4' energy: -97.879 flat angles P-C4'-P energy: -32.339 tors. eta vs tors. theta energy: -21.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -464.338284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.338284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.338284 (E_RNA) where: Base-Base interactions energy: -170.578 where: short stacking energy: -140.548 Base-Backbone interact. energy: -1.109 local terms energy: -292.651539 where: bonds (distance) C4'-P energy: -86.060 bonds (distance) P-C4' energy: -107.273 flat angles C4'-P-C4' energy: -76.392 flat angles P-C4'-P energy: -42.193 tors. eta vs tors. theta energy: 19.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2177.366331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.366331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.366331 (E_RNA) where: Base-Base interactions energy: -1510.486 where: short stacking energy: -610.878 Base-Backbone interact. energy: -2.169 local terms energy: -664.711420 where: bonds (distance) C4'-P energy: -119.680 bonds (distance) P-C4' energy: -125.438 flat angles C4'-P-C4' energy: -143.991 flat angles P-C4'-P energy: -97.806 tors. eta vs tors. theta energy: -177.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2097.191757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.191757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.191757 (E_RNA) where: Base-Base interactions energy: -1437.094 where: short stacking energy: -596.110 Base-Backbone interact. energy: -3.415 local terms energy: -656.682690 where: bonds (distance) C4'-P energy: -121.431 bonds (distance) P-C4' energy: -127.409 flat angles C4'-P-C4' energy: -134.693 flat angles P-C4'-P energy: -84.879 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: 3, replica: 7 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1994.768649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.768649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.768649 (E_RNA) where: Base-Base interactions energy: -1396.094 where: short stacking energy: -579.740 Base-Backbone interact. energy: -0.035 local terms energy: -598.639126 where: bonds (distance) C4'-P energy: -117.212 bonds (distance) P-C4' energy: -118.432 flat angles C4'-P-C4' energy: -112.408 flat angles P-C4'-P energy: -86.477 tors. eta vs tors. theta energy: -164.109 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: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1880.363111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.363111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.363111 (E_RNA) where: Base-Base interactions energy: -1294.694 where: short stacking energy: -528.216 Base-Backbone interact. energy: -1.233 local terms energy: -584.436046 where: bonds (distance) C4'-P energy: -110.994 bonds (distance) P-C4' energy: -120.358 flat angles C4'-P-C4' energy: -128.397 flat angles P-C4'-P energy: -68.432 tors. eta vs tors. theta energy: -156.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1716.237932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.237932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.237932 (E_RNA) where: Base-Base interactions energy: -1173.593 where: short stacking energy: -491.103 Base-Backbone interact. energy: -0.215 local terms energy: -542.429290 where: bonds (distance) C4'-P energy: -104.543 bonds (distance) P-C4' energy: -110.061 flat angles C4'-P-C4' energy: -126.257 flat angles P-C4'-P energy: -75.979 tors. eta vs tors. theta energy: -125.590 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: 2 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1679.054722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.054722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.054722 (E_RNA) where: Base-Base interactions energy: -1129.686 where: short stacking energy: -479.445 Base-Backbone interact. energy: -1.205 local terms energy: -548.163956 where: bonds (distance) C4'-P energy: -95.249 bonds (distance) P-C4' energy: -92.377 flat angles C4'-P-C4' energy: -125.793 flat angles P-C4'-P energy: -89.482 tors. eta vs tors. theta energy: -145.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1440.924621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.924621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.924621 (E_RNA) where: Base-Base interactions energy: -951.546 where: short stacking energy: -406.306 Base-Backbone interact. energy: 2.426 local terms energy: -491.804750 where: bonds (distance) C4'-P energy: -98.196 bonds (distance) P-C4' energy: -100.834 flat angles C4'-P-C4' energy: -110.657 flat angles P-C4'-P energy: -77.077 tors. eta vs tors. theta energy: -105.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1008.538728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.538728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.538728 (E_RNA) where: Base-Base interactions energy: -612.217 where: short stacking energy: -256.828 Base-Backbone interact. energy: 2.723 local terms energy: -399.045449 where: bonds (distance) C4'-P energy: -109.316 bonds (distance) P-C4' energy: -97.851 flat angles C4'-P-C4' energy: -94.476 flat angles P-C4'-P energy: -61.041 tors. eta vs tors. theta energy: -36.361 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: 8 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -706.279217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.279217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.279217 (E_RNA) where: Base-Base interactions energy: -371.900 where: short stacking energy: -196.004 Base-Backbone interact. energy: 0.078 local terms energy: -334.456814 where: bonds (distance) C4'-P energy: -114.214 bonds (distance) P-C4' energy: -70.958 flat angles C4'-P-C4' energy: -95.932 flat angles P-C4'-P energy: -56.993 tors. eta vs tors. theta energy: 3.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -451.129307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.129307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.129307 (E_RNA) where: Base-Base interactions energy: -171.563 where: short stacking energy: -125.251 Base-Backbone interact. energy: -4.049 local terms energy: -275.517464 where: bonds (distance) C4'-P energy: -77.680 bonds (distance) P-C4' energy: -93.357 flat angles C4'-P-C4' energy: -75.317 flat angles P-C4'-P energy: -52.779 tors. eta vs tors. theta energy: 23.615 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: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2169.685135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.685135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.685135 (E_RNA) where: Base-Base interactions energy: -1527.972 where: short stacking energy: -638.887 Base-Backbone interact. energy: -2.717 local terms energy: -638.996169 where: bonds (distance) C4'-P energy: -117.484 bonds (distance) P-C4' energy: -109.633 flat angles C4'-P-C4' energy: -137.357 flat angles P-C4'-P energy: -90.356 tors. eta vs tors. theta energy: -184.167 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: 7 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2056.786852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.786852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.786852 (E_RNA) where: Base-Base interactions energy: -1380.749 where: short stacking energy: -561.599 Base-Backbone interact. energy: -1.309 local terms energy: -674.729232 where: bonds (distance) C4'-P energy: -121.995 bonds (distance) P-C4' energy: -121.516 flat angles C4'-P-C4' energy: -141.028 flat angles P-C4'-P energy: -106.906 tors. eta vs tors. theta energy: -183.283 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: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2042.873692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.873692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.873692 (E_RNA) where: Base-Base interactions energy: -1365.820 where: short stacking energy: -593.425 Base-Backbone interact. energy: 1.884 local terms energy: -678.937801 where: bonds (distance) C4'-P energy: -126.261 bonds (distance) P-C4' energy: -122.878 flat angles C4'-P-C4' energy: -142.771 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -195.482 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: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1865.057571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.057571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.057571 (E_RNA) where: Base-Base interactions energy: -1250.377 where: short stacking energy: -524.441 Base-Backbone interact. energy: 0.054 local terms energy: -614.734961 where: bonds (distance) C4'-P energy: -112.874 bonds (distance) P-C4' energy: -113.643 flat angles C4'-P-C4' energy: -138.517 flat angles P-C4'-P energy: -88.759 tors. eta vs tors. theta energy: -160.941 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: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1720.750695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.750695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.750695 (E_RNA) where: Base-Base interactions energy: -1161.849 where: short stacking energy: -485.529 Base-Backbone interact. energy: -2.384 local terms energy: -556.517171 where: bonds (distance) C4'-P energy: -100.211 bonds (distance) P-C4' energy: -116.239 flat angles C4'-P-C4' energy: -126.911 flat angles P-C4'-P energy: -70.857 tors. eta vs tors. theta energy: -142.300 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: 2 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1629.893797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.893797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.893797 (E_RNA) where: Base-Base interactions energy: -1064.989 where: short stacking energy: -455.277 Base-Backbone interact. energy: -0.941 local terms energy: -563.963813 where: bonds (distance) C4'-P energy: -113.385 bonds (distance) P-C4' energy: -125.982 flat angles C4'-P-C4' energy: -123.366 flat angles P-C4'-P energy: -74.044 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: 7, replica: 10 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1499.938115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.938115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.938115 (E_RNA) where: Base-Base interactions energy: -1023.114 where: short stacking energy: -424.133 Base-Backbone interact. energy: -3.838 local terms energy: -472.985875 where: bonds (distance) C4'-P energy: -82.948 bonds (distance) P-C4' energy: -96.925 flat angles C4'-P-C4' energy: -115.000 flat angles P-C4'-P energy: -63.754 tors. eta vs tors. theta energy: -114.360 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: 8, replica: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1003.051221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.051221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.051221 (E_RNA) where: Base-Base interactions energy: -612.283 where: short stacking energy: -282.142 Base-Backbone interact. energy: 2.158 local terms energy: -392.925828 where: bonds (distance) C4'-P energy: -101.215 bonds (distance) P-C4' energy: -115.182 flat angles C4'-P-C4' energy: -81.406 flat angles P-C4'-P energy: -53.065 tors. eta vs tors. theta energy: -42.059 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: 8 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -794.005305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.005305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.005305 (E_RNA) where: Base-Base interactions energy: -416.924 where: short stacking energy: -227.545 Base-Backbone interact. energy: 2.800 local terms energy: -379.880657 where: bonds (distance) C4'-P energy: -96.854 bonds (distance) P-C4' energy: -107.352 flat angles C4'-P-C4' energy: -94.228 flat angles P-C4'-P energy: -50.914 tors. eta vs tors. theta energy: -30.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -470.276909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.276909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.276909 (E_RNA) where: Base-Base interactions energy: -165.753 where: short stacking energy: -144.499 Base-Backbone interact. energy: -0.952 local terms energy: -303.571805 where: bonds (distance) C4'-P energy: -98.512 bonds (distance) P-C4' energy: -99.282 flat angles C4'-P-C4' energy: -77.637 flat angles P-C4'-P energy: -46.883 tors. eta vs tors. theta energy: 18.742 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: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2150.238666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.238666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.238666 (E_RNA) where: Base-Base interactions energy: -1493.637 where: short stacking energy: -605.389 Base-Backbone interact. energy: -1.914 local terms energy: -654.687410 where: bonds (distance) C4'-P energy: -132.839 bonds (distance) P-C4' energy: -115.738 flat angles C4'-P-C4' energy: -140.367 flat angles P-C4'-P energy: -85.426 tors. eta vs tors. theta energy: -180.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2040.778236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.778236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.778236 (E_RNA) where: Base-Base interactions energy: -1395.388 where: short stacking energy: -563.752 Base-Backbone interact. energy: -3.616 local terms energy: -641.773868 where: bonds (distance) C4'-P energy: -122.314 bonds (distance) P-C4' energy: -126.411 flat angles C4'-P-C4' energy: -134.237 flat angles P-C4'-P energy: -85.526 tors. eta vs tors. theta energy: -173.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2068.937625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.937625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.937625 (E_RNA) where: Base-Base interactions energy: -1425.656 where: short stacking energy: -591.884 Base-Backbone interact. energy: -0.347 local terms energy: -642.934981 where: bonds (distance) C4'-P energy: -108.043 bonds (distance) P-C4' energy: -135.351 flat angles C4'-P-C4' energy: -130.967 flat angles P-C4'-P energy: -90.156 tors. eta vs tors. theta energy: -178.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1904.901063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.901063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.901063 (E_RNA) where: Base-Base interactions energy: -1322.869 where: short stacking energy: -532.502 Base-Backbone interact. energy: -2.070 local terms energy: -579.962234 where: bonds (distance) C4'-P energy: -113.963 bonds (distance) P-C4' energy: -107.982 flat angles C4'-P-C4' energy: -122.175 flat angles P-C4'-P energy: -82.054 tors. eta vs tors. theta energy: -153.788 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: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1696.662466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.662466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.662466 (E_RNA) where: Base-Base interactions energy: -1155.790 where: short stacking energy: -491.017 Base-Backbone interact. energy: 1.167 local terms energy: -542.038912 where: bonds (distance) C4'-P energy: -109.239 bonds (distance) P-C4' energy: -111.656 flat angles C4'-P-C4' energy: -120.851 flat angles P-C4'-P energy: -65.529 tors. eta vs tors. theta energy: -134.764 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: 2 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1694.254079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.254079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.254079 (E_RNA) where: Base-Base interactions energy: -1118.888 where: short stacking energy: -486.000 Base-Backbone interact. energy: -1.752 local terms energy: -573.613565 where: bonds (distance) C4'-P energy: -109.174 bonds (distance) P-C4' energy: -110.584 flat angles C4'-P-C4' energy: -123.998 flat angles P-C4'-P energy: -86.998 tors. eta vs tors. theta energy: -142.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1432.897091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.897091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.897091 (E_RNA) where: Base-Base interactions energy: -941.492 where: short stacking energy: -416.332 Base-Backbone interact. energy: -3.102 local terms energy: -488.302667 where: bonds (distance) C4'-P energy: -78.367 bonds (distance) P-C4' energy: -119.494 flat angles C4'-P-C4' energy: -117.218 flat angles P-C4'-P energy: -62.052 tors. eta vs tors. theta energy: -111.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1027.005157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.005157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.005157 (E_RNA) where: Base-Base interactions energy: -626.473 where: short stacking energy: -265.526 Base-Backbone interact. energy: -1.281 local terms energy: -399.251099 where: bonds (distance) C4'-P energy: -103.696 bonds (distance) P-C4' energy: -99.414 flat angles C4'-P-C4' energy: -106.060 flat angles P-C4'-P energy: -58.221 tors. eta vs tors. theta energy: -31.861 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: 8 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -671.388244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.388244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.388244 (E_RNA) where: Base-Base interactions energy: -334.516 where: short stacking energy: -187.646 Base-Backbone interact. energy: 2.272 local terms energy: -339.144371 where: bonds (distance) C4'-P energy: -89.745 bonds (distance) P-C4' energy: -110.288 flat angles C4'-P-C4' energy: -85.001 flat angles P-C4'-P energy: -61.843 tors. eta vs tors. theta energy: 7.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -483.323347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.323347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.323347 (E_RNA) where: Base-Base interactions energy: -164.947 where: short stacking energy: -142.578 Base-Backbone interact. energy: 6.735 local terms energy: -325.111434 where: bonds (distance) C4'-P energy: -79.888 bonds (distance) P-C4' energy: -109.953 flat angles C4'-P-C4' energy: -90.995 flat angles P-C4'-P energy: -63.771 tors. eta vs tors. theta energy: 19.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2139.452702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.452702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.452702 (E_RNA) where: Base-Base interactions energy: -1491.489 where: short stacking energy: -627.850 Base-Backbone interact. energy: -0.703 local terms energy: -647.260157 where: bonds (distance) C4'-P energy: -135.123 bonds (distance) P-C4' energy: -108.226 flat angles C4'-P-C4' energy: -144.514 flat angles P-C4'-P energy: -79.771 tors. eta vs tors. theta energy: -179.627 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: 7 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2042.600832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.600832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.600832 (E_RNA) where: Base-Base interactions energy: -1417.485 where: short stacking energy: -567.433 Base-Backbone interact. energy: -2.307 local terms energy: -622.808847 where: bonds (distance) C4'-P energy: -113.197 bonds (distance) P-C4' energy: -121.643 flat angles C4'-P-C4' energy: -119.094 flat angles P-C4'-P energy: -94.333 tors. eta vs tors. theta energy: -174.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2031.392099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.392099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.392099 (E_RNA) where: Base-Base interactions energy: -1395.616 where: short stacking energy: -598.896 Base-Backbone interact. energy: -0.558 local terms energy: -635.217317 where: bonds (distance) C4'-P energy: -110.778 bonds (distance) P-C4' energy: -117.805 flat angles C4'-P-C4' energy: -140.867 flat angles P-C4'-P energy: -80.760 tors. eta vs tors. theta energy: -185.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1883.894186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.894186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.894186 (E_RNA) where: Base-Base interactions energy: -1303.676 where: short stacking energy: -534.078 Base-Backbone interact. energy: 3.907 local terms energy: -584.125610 where: bonds (distance) C4'-P energy: -96.801 bonds (distance) P-C4' energy: -108.872 flat angles C4'-P-C4' energy: -139.076 flat angles P-C4'-P energy: -77.346 tors. eta vs tors. theta energy: -162.031 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: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1714.431387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.431387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.431387 (E_RNA) where: Base-Base interactions energy: -1163.553 where: short stacking energy: -485.031 Base-Backbone interact. energy: -3.049 local terms energy: -547.829536 where: bonds (distance) C4'-P energy: -111.692 bonds (distance) P-C4' energy: -104.111 flat angles C4'-P-C4' energy: -119.307 flat angles P-C4'-P energy: -72.648 tors. eta vs tors. theta energy: -140.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1661.070407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.070407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.070407 (E_RNA) where: Base-Base interactions energy: -1097.580 where: short stacking energy: -465.380 Base-Backbone interact. energy: 0.587 local terms energy: -564.077435 where: bonds (distance) C4'-P energy: -97.297 bonds (distance) P-C4' energy: -117.399 flat angles C4'-P-C4' energy: -129.418 flat angles P-C4'-P energy: -77.442 tors. eta vs tors. theta energy: -142.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1448.551022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.551022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.551022 (E_RNA) where: Base-Base interactions energy: -962.716 where: short stacking energy: -445.370 Base-Backbone interact. energy: 1.133 local terms energy: -486.967936 where: bonds (distance) C4'-P energy: -97.132 bonds (distance) P-C4' energy: -80.737 flat angles C4'-P-C4' energy: -114.863 flat angles P-C4'-P energy: -71.156 tors. eta vs tors. theta energy: -123.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -958.943181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.943181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.943181 (E_RNA) where: Base-Base interactions energy: -592.319 where: short stacking energy: -240.774 Base-Backbone interact. energy: 2.746 local terms energy: -369.370691 where: bonds (distance) C4'-P energy: -92.922 bonds (distance) P-C4' energy: -116.745 flat angles C4'-P-C4' energy: -92.718 flat angles P-C4'-P energy: -52.528 tors. eta vs tors. theta energy: -14.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -712.634370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.634370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.634370 (E_RNA) where: Base-Base interactions energy: -349.553 where: short stacking energy: -177.079 Base-Backbone interact. energy: 0.473 local terms energy: -363.554687 where: bonds (distance) C4'-P energy: -110.452 bonds (distance) P-C4' energy: -105.665 flat angles C4'-P-C4' energy: -94.275 flat angles P-C4'-P energy: -50.446 tors. eta vs tors. theta energy: -2.718 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: 10, replica: 9 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -464.171693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.171693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.171693 (E_RNA) where: Base-Base interactions energy: -149.056 where: short stacking energy: -137.164 Base-Backbone interact. energy: 0.007 local terms energy: -315.121790 where: bonds (distance) C4'-P energy: -90.591 bonds (distance) P-C4' energy: -103.163 flat angles C4'-P-C4' energy: -87.722 flat angles P-C4'-P energy: -65.596 tors. eta vs tors. theta energy: 31.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2139.663047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.663047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.663047 (E_RNA) where: Base-Base interactions energy: -1509.676 where: short stacking energy: -625.177 Base-Backbone interact. energy: -0.143 local terms energy: -629.843960 where: bonds (distance) C4'-P energy: -116.892 bonds (distance) P-C4' energy: -115.063 flat angles C4'-P-C4' energy: -127.977 flat angles P-C4'-P energy: -94.812 tors. eta vs tors. theta energy: -175.099 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: 470 Temperature: 0.950000 Total energy: -2041.714208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.714208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.714208 (E_RNA) where: Base-Base interactions energy: -1421.223 where: short stacking energy: -578.087 Base-Backbone interact. energy: -1.564 local terms energy: -618.926807 where: bonds (distance) C4'-P energy: -112.316 bonds (distance) P-C4' energy: -116.658 flat angles C4'-P-C4' energy: -140.894 flat angles P-C4'-P energy: -87.128 tors. eta vs tors. theta energy: -161.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2064.799148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.799148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.799148 (E_RNA) where: Base-Base interactions energy: -1401.008 where: short stacking energy: -578.563 Base-Backbone interact. energy: -3.464 local terms energy: -660.327975 where: bonds (distance) C4'-P energy: -123.890 bonds (distance) P-C4' energy: -129.286 flat angles C4'-P-C4' energy: -130.224 flat angles P-C4'-P energy: -88.279 tors. eta vs tors. theta energy: -188.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1896.264290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.264290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.264290 (E_RNA) where: Base-Base interactions energy: -1304.810 where: short stacking energy: -510.947 Base-Backbone interact. energy: -1.270 local terms energy: -590.184609 where: bonds (distance) C4'-P energy: -120.515 bonds (distance) P-C4' energy: -110.576 flat angles C4'-P-C4' energy: -133.633 flat angles P-C4'-P energy: -80.201 tors. eta vs tors. theta energy: -145.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1693.268992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.268992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.268992 (E_RNA) where: Base-Base interactions energy: -1163.488 where: short stacking energy: -494.110 Base-Backbone interact. energy: -1.321 local terms energy: -528.460755 where: bonds (distance) C4'-P energy: -101.469 bonds (distance) P-C4' energy: -112.029 flat angles C4'-P-C4' energy: -111.070 flat angles P-C4'-P energy: -66.437 tors. eta vs tors. theta energy: -137.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1644.589941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.589941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.589941 (E_RNA) where: Base-Base interactions energy: -1111.165 where: short stacking energy: -475.664 Base-Backbone interact. energy: 0.493 local terms energy: -533.917598 where: bonds (distance) C4'-P energy: -108.711 bonds (distance) P-C4' energy: -100.956 flat angles C4'-P-C4' energy: -114.926 flat angles P-C4'-P energy: -66.056 tors. eta vs tors. theta energy: -143.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1472.658833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.658833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.658833 (E_RNA) where: Base-Base interactions energy: -942.655 where: short stacking energy: -406.663 Base-Backbone interact. energy: -1.757 local terms energy: -528.246981 where: bonds (distance) C4'-P energy: -105.155 bonds (distance) P-C4' energy: -101.403 flat angles C4'-P-C4' energy: -119.638 flat angles P-C4'-P energy: -72.199 tors. eta vs tors. theta energy: -129.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1039.168429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.168429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.168429 (E_RNA) where: Base-Base interactions energy: -629.720 where: short stacking energy: -278.421 Base-Backbone interact. energy: 1.034 local terms energy: -410.482642 where: bonds (distance) C4'-P energy: -107.415 bonds (distance) P-C4' energy: -96.209 flat angles C4'-P-C4' energy: -96.293 flat angles P-C4'-P energy: -68.401 tors. eta vs tors. theta energy: -42.165 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: 9, replica: 8 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -733.386158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.386158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.386158 (E_RNA) where: Base-Base interactions energy: -365.417 where: short stacking energy: -189.095 Base-Backbone interact. energy: -0.985 local terms energy: -366.983682 where: bonds (distance) C4'-P energy: -99.726 bonds (distance) P-C4' energy: -103.100 flat angles C4'-P-C4' energy: -110.179 flat angles P-C4'-P energy: -61.783 tors. eta vs tors. theta energy: 7.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -497.068149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.068149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.068149 (E_RNA) where: Base-Base interactions energy: -183.673 where: short stacking energy: -134.126 Base-Backbone interact. energy: 1.422 local terms energy: -314.817959 where: bonds (distance) C4'-P energy: -93.839 bonds (distance) P-C4' energy: -92.614 flat angles C4'-P-C4' energy: -86.015 flat angles P-C4'-P energy: -63.147 tors. eta vs tors. theta energy: 20.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2166.208579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.208579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.208579 (E_RNA) where: Base-Base interactions energy: -1498.973 where: short stacking energy: -612.861 Base-Backbone interact. energy: -1.230 local terms energy: -666.005182 where: bonds (distance) C4'-P energy: -131.502 bonds (distance) P-C4' energy: -114.635 flat angles C4'-P-C4' energy: -145.071 flat angles P-C4'-P energy: -90.167 tors. eta vs tors. theta energy: -184.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2093.615613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.615613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.615613 (E_RNA) where: Base-Base interactions energy: -1424.533 where: short stacking energy: -582.232 Base-Backbone interact. energy: -3.526 local terms energy: -665.556398 where: bonds (distance) C4'-P energy: -128.929 bonds (distance) P-C4' energy: -116.085 flat angles C4'-P-C4' energy: -138.830 flat angles P-C4'-P energy: -94.593 tors. eta vs tors. theta energy: -187.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1990.896014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.896014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.896014 (E_RNA) where: Base-Base interactions energy: -1369.947 where: short stacking energy: -551.898 Base-Backbone interact. energy: -3.385 local terms energy: -617.564061 where: bonds (distance) C4'-P energy: -128.074 bonds (distance) P-C4' energy: -115.513 flat angles C4'-P-C4' energy: -124.981 flat angles P-C4'-P energy: -83.762 tors. eta vs tors. theta energy: -165.235 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: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1905.041236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.041236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.041236 (E_RNA) where: Base-Base interactions energy: -1322.593 where: short stacking energy: -534.672 Base-Backbone interact. energy: -4.789 local terms energy: -577.658306 where: bonds (distance) C4'-P energy: -103.954 bonds (distance) P-C4' energy: -94.031 flat angles C4'-P-C4' energy: -137.041 flat angles P-C4'-P energy: -81.061 tors. eta vs tors. theta energy: -161.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1710.447000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.447000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.447000 (E_RNA) where: Base-Base interactions energy: -1160.924 where: short stacking energy: -485.248 Base-Backbone interact. energy: -3.522 local terms energy: -546.000748 where: bonds (distance) C4'-P energy: -111.097 bonds (distance) P-C4' energy: -103.810 flat angles C4'-P-C4' energy: -120.656 flat angles P-C4'-P energy: -78.013 tors. eta vs tors. theta energy: -132.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1631.597749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.597749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.597749 (E_RNA) where: Base-Base interactions energy: -1083.122 where: short stacking energy: -458.205 Base-Backbone interact. energy: -0.336 local terms energy: -548.140060 where: bonds (distance) C4'-P energy: -115.080 bonds (distance) P-C4' energy: -104.756 flat angles C4'-P-C4' energy: -118.455 flat angles P-C4'-P energy: -72.578 tors. eta vs tors. theta energy: -137.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1440.866310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.866310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.866310 (E_RNA) where: Base-Base interactions energy: -930.357 where: short stacking energy: -419.802 Base-Backbone interact. energy: -1.206 local terms energy: -509.303202 where: bonds (distance) C4'-P energy: -92.217 bonds (distance) P-C4' energy: -108.169 flat angles C4'-P-C4' energy: -121.934 flat angles P-C4'-P energy: -80.529 tors. eta vs tors. theta energy: -106.454 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: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1009.868867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.868867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.868867 (E_RNA) where: Base-Base interactions energy: -620.502 where: short stacking energy: -256.583 Base-Backbone interact. energy: 3.812 local terms energy: -393.179665 where: bonds (distance) C4'-P energy: -104.679 bonds (distance) P-C4' energy: -113.903 flat angles C4'-P-C4' energy: -81.750 flat angles P-C4'-P energy: -62.225 tors. eta vs tors. theta energy: -30.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -712.331577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.331577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.331577 (E_RNA) where: Base-Base interactions energy: -336.470 where: short stacking energy: -179.509 Base-Backbone interact. energy: -4.181 local terms energy: -371.681271 where: bonds (distance) C4'-P energy: -102.738 bonds (distance) P-C4' energy: -115.908 flat angles C4'-P-C4' energy: -85.562 flat angles P-C4'-P energy: -56.498 tors. eta vs tors. theta energy: -10.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -467.670441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.670441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.670441 (E_RNA) where: Base-Base interactions energy: -159.773 where: short stacking energy: -119.734 Base-Backbone interact. energy: 4.333 local terms energy: -312.230524 where: bonds (distance) C4'-P energy: -91.149 bonds (distance) P-C4' energy: -115.388 flat angles C4'-P-C4' energy: -78.568 flat angles P-C4'-P energy: -51.986 tors. eta vs tors. theta energy: 24.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2178.408988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.408988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.408988 (E_RNA) where: Base-Base interactions energy: -1537.373 where: short stacking energy: -620.638 Base-Backbone interact. energy: -1.149 local terms energy: -639.887363 where: bonds (distance) C4'-P energy: -121.864 bonds (distance) P-C4' energy: -120.241 flat angles C4'-P-C4' energy: -134.312 flat angles P-C4'-P energy: -84.350 tors. eta vs tors. theta energy: -179.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2087.978973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.978973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.978973 (E_RNA) where: Base-Base interactions energy: -1469.001 where: short stacking energy: -603.889 Base-Backbone interact. energy: -1.634 local terms energy: -617.344244 where: bonds (distance) C4'-P energy: -100.695 bonds (distance) P-C4' energy: -112.049 flat angles C4'-P-C4' energy: -129.051 flat angles P-C4'-P energy: -86.301 tors. eta vs tors. theta energy: -189.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1981.676701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.676701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.676701 (E_RNA) where: Base-Base interactions energy: -1365.955 where: short stacking energy: -563.283 Base-Backbone interact. energy: -2.861 local terms energy: -612.860431 where: bonds (distance) C4'-P energy: -112.405 bonds (distance) P-C4' energy: -125.977 flat angles C4'-P-C4' energy: -122.448 flat angles P-C4'-P energy: -78.583 tors. eta vs tors. theta energy: -173.447 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: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1886.832746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.832746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.832746 (E_RNA) where: Base-Base interactions energy: -1296.974 where: short stacking energy: -538.654 Base-Backbone interact. energy: 5.174 local terms energy: -595.032416 where: bonds (distance) C4'-P energy: -117.886 bonds (distance) P-C4' energy: -94.530 flat angles C4'-P-C4' energy: -123.117 flat angles P-C4'-P energy: -94.335 tors. eta vs tors. theta energy: -165.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1708.228313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.228313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.228313 (E_RNA) where: Base-Base interactions energy: -1140.339 where: short stacking energy: -508.713 Base-Backbone interact. energy: -0.292 local terms energy: -567.597252 where: bonds (distance) C4'-P energy: -105.560 bonds (distance) P-C4' energy: -103.526 flat angles C4'-P-C4' energy: -132.272 flat angles P-C4'-P energy: -77.113 tors. eta vs tors. theta energy: -149.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1630.835031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.835031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.835031 (E_RNA) where: Base-Base interactions energy: -1088.918 where: short stacking energy: -475.657 Base-Backbone interact. energy: -2.167 local terms energy: -539.749932 where: bonds (distance) C4'-P energy: -95.731 bonds (distance) P-C4' energy: -109.210 flat angles C4'-P-C4' energy: -109.799 flat angles P-C4'-P energy: -81.702 tors. eta vs tors. theta energy: -143.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1432.583620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.583620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.583620 (E_RNA) where: Base-Base interactions energy: -945.643 where: short stacking energy: -411.554 Base-Backbone interact. energy: -4.195 local terms energy: -482.746153 where: bonds (distance) C4'-P energy: -100.300 bonds (distance) P-C4' energy: -101.833 flat angles C4'-P-C4' energy: -96.787 flat angles P-C4'-P energy: -74.961 tors. eta vs tors. theta energy: -108.865 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: 6 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1000.307872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.307872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.307872 (E_RNA) where: Base-Base interactions energy: -593.473 where: short stacking energy: -248.369 Base-Backbone interact. energy: -0.957 local terms energy: -405.877800 where: bonds (distance) C4'-P energy: -98.809 bonds (distance) P-C4' energy: -106.394 flat angles C4'-P-C4' energy: -98.480 flat angles P-C4'-P energy: -73.151 tors. eta vs tors. theta energy: -29.043 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: 8 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -739.996325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.996325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.996325 (E_RNA) where: Base-Base interactions energy: -407.869 where: short stacking energy: -197.514 Base-Backbone interact. energy: 1.443 local terms energy: -333.570545 where: bonds (distance) C4'-P energy: -92.017 bonds (distance) P-C4' energy: -92.217 flat angles C4'-P-C4' energy: -92.456 flat angles P-C4'-P energy: -54.502 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -484.382083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.382083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.382083 (E_RNA) where: Base-Base interactions energy: -176.254 where: short stacking energy: -125.487 Base-Backbone interact. energy: 2.078 local terms energy: -310.205922 where: bonds (distance) C4'-P energy: -95.818 bonds (distance) P-C4' energy: -112.815 flat angles C4'-P-C4' energy: -79.479 flat angles P-C4'-P energy: -63.514 tors. eta vs tors. theta energy: 41.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2188.504838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.504838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.504838 (E_RNA) where: Base-Base interactions energy: -1550.608 where: short stacking energy: -632.102 Base-Backbone interact. energy: -3.273 local terms energy: -634.623858 where: bonds (distance) C4'-P energy: -125.964 bonds (distance) P-C4' energy: -116.657 flat angles C4'-P-C4' energy: -128.362 flat angles P-C4'-P energy: -85.015 tors. eta vs tors. theta energy: -178.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2085.240870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.240870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.240870 (E_RNA) where: Base-Base interactions energy: -1423.022 where: short stacking energy: -602.472 Base-Backbone interact. energy: 0.091 local terms energy: -662.310151 where: bonds (distance) C4'-P energy: -117.137 bonds (distance) P-C4' energy: -114.623 flat angles C4'-P-C4' energy: -141.390 flat angles P-C4'-P energy: -94.328 tors. eta vs tors. theta energy: -194.832 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: 7 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1961.968029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.968029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.968029 (E_RNA) where: Base-Base interactions energy: -1313.516 where: short stacking energy: -534.245 Base-Backbone interact. energy: -3.028 local terms energy: -645.423633 where: bonds (distance) C4'-P energy: -113.278 bonds (distance) P-C4' energy: -111.025 flat angles C4'-P-C4' energy: -135.162 flat angles P-C4'-P energy: -97.182 tors. eta vs tors. theta energy: -188.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1886.244791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.244791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.244791 (E_RNA) where: Base-Base interactions energy: -1292.433 where: short stacking energy: -516.009 Base-Backbone interact. energy: -3.115 local terms energy: -590.696802 where: bonds (distance) C4'-P energy: -106.020 bonds (distance) P-C4' energy: -126.132 flat angles C4'-P-C4' energy: -115.471 flat angles P-C4'-P energy: -77.154 tors. eta vs tors. theta energy: -165.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1709.753073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.753073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.753073 (E_RNA) where: Base-Base interactions energy: -1155.573 where: short stacking energy: -520.466 Base-Backbone interact. energy: -2.208 local terms energy: -551.972284 where: bonds (distance) C4'-P energy: -106.477 bonds (distance) P-C4' energy: -110.426 flat angles C4'-P-C4' energy: -101.411 flat angles P-C4'-P energy: -77.415 tors. eta vs tors. theta energy: -156.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1675.988451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.988451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.988451 (E_RNA) where: Base-Base interactions energy: -1107.514 where: short stacking energy: -482.670 Base-Backbone interact. energy: 0.194 local terms energy: -568.668483 where: bonds (distance) C4'-P energy: -119.033 bonds (distance) P-C4' energy: -103.715 flat angles C4'-P-C4' energy: -121.556 flat angles P-C4'-P energy: -76.821 tors. eta vs tors. theta energy: -147.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1404.119008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.119008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.119008 (E_RNA) where: Base-Base interactions energy: -918.881 where: short stacking energy: -369.781 Base-Backbone interact. energy: -2.900 local terms energy: -482.338547 where: bonds (distance) C4'-P energy: -108.555 bonds (distance) P-C4' energy: -108.137 flat angles C4'-P-C4' energy: -103.451 flat angles P-C4'-P energy: -68.489 tors. eta vs tors. theta energy: -93.706 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: 473 Temperature: 1.250000 Total energy: -998.544357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.544357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.544357 (E_RNA) where: Base-Base interactions energy: -570.797 where: short stacking energy: -258.184 Base-Backbone interact. energy: -2.539 local terms energy: -425.208669 where: bonds (distance) C4'-P energy: -105.669 bonds (distance) P-C4' energy: -113.487 flat angles C4'-P-C4' energy: -118.642 flat angles P-C4'-P energy: -62.657 tors. eta vs tors. theta energy: -24.753 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: 8 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -738.227507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.227507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.227507 (E_RNA) where: Base-Base interactions energy: -401.010 where: short stacking energy: -208.054 Base-Backbone interact. energy: -0.540 local terms energy: -336.677779 where: bonds (distance) C4'-P energy: -94.003 bonds (distance) P-C4' energy: -92.323 flat angles C4'-P-C4' energy: -93.486 flat angles P-C4'-P energy: -59.684 tors. eta vs tors. theta energy: 2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -487.193435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.193435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.193435 (E_RNA) where: Base-Base interactions energy: -194.958 where: short stacking energy: -115.618 Base-Backbone interact. energy: -0.929 local terms energy: -291.307270 where: bonds (distance) C4'-P energy: -87.876 bonds (distance) P-C4' energy: -113.347 flat angles C4'-P-C4' energy: -81.581 flat angles P-C4'-P energy: -40.054 tors. eta vs tors. theta energy: 31.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2180.694456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.694456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.694456 (E_RNA) where: Base-Base interactions energy: -1522.371 where: short stacking energy: -640.437 Base-Backbone interact. energy: 3.940 local terms energy: -662.263398 where: bonds (distance) C4'-P energy: -121.872 bonds (distance) P-C4' energy: -117.780 flat angles C4'-P-C4' energy: -139.801 flat angles P-C4'-P energy: -100.182 tors. eta vs tors. theta energy: -182.627 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: 4 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2105.066343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.066343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.066343 (E_RNA) where: Base-Base interactions energy: -1422.606 where: short stacking energy: -610.027 Base-Backbone interact. energy: -1.177 local terms energy: -681.283177 where: bonds (distance) C4'-P energy: -118.705 bonds (distance) P-C4' energy: -120.165 flat angles C4'-P-C4' energy: -137.328 flat angles P-C4'-P energy: -95.945 tors. eta vs tors. theta energy: -209.140 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: 7 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1970.672345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.672345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.672345 (E_RNA) where: Base-Base interactions energy: -1322.814 where: short stacking energy: -542.689 Base-Backbone interact. energy: -3.340 local terms energy: -644.517844 where: bonds (distance) C4'-P energy: -126.939 bonds (distance) P-C4' energy: -112.239 flat angles C4'-P-C4' energy: -124.015 flat angles P-C4'-P energy: -103.842 tors. eta vs tors. theta energy: -177.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1946.353458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.353458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.353458 (E_RNA) where: Base-Base interactions energy: -1359.113 where: short stacking energy: -530.982 Base-Backbone interact. energy: -3.464 local terms energy: -583.776520 where: bonds (distance) C4'-P energy: -102.588 bonds (distance) P-C4' energy: -120.020 flat angles C4'-P-C4' energy: -124.872 flat angles P-C4'-P energy: -79.027 tors. eta vs tors. theta energy: -157.271 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: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1695.036185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.036185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.036185 (E_RNA) where: Base-Base interactions energy: -1127.344 where: short stacking energy: -490.840 Base-Backbone interact. energy: -3.404 local terms energy: -564.288092 where: bonds (distance) C4'-P energy: -110.043 bonds (distance) P-C4' energy: -117.255 flat angles C4'-P-C4' energy: -115.882 flat angles P-C4'-P energy: -72.900 tors. eta vs tors. theta energy: -148.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1669.332777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.332777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.332777 (E_RNA) where: Base-Base interactions energy: -1083.870 where: short stacking energy: -479.873 Base-Backbone interact. energy: 0.788 local terms energy: -586.250775 where: bonds (distance) C4'-P energy: -102.732 bonds (distance) P-C4' energy: -103.024 flat angles C4'-P-C4' energy: -136.782 flat angles P-C4'-P energy: -95.334 tors. eta vs tors. theta energy: -148.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1416.712496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.712496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.712496 (E_RNA) where: Base-Base interactions energy: -942.278 where: short stacking energy: -385.324 Base-Backbone interact. energy: 1.507 local terms energy: -475.941747 where: bonds (distance) C4'-P energy: -100.064 bonds (distance) P-C4' energy: -109.213 flat angles C4'-P-C4' energy: -102.599 flat angles P-C4'-P energy: -68.451 tors. eta vs tors. theta energy: -95.614 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: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1041.153218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.153218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.153218 (E_RNA) where: Base-Base interactions energy: -641.797 where: short stacking energy: -289.347 Base-Backbone interact. energy: 2.093 local terms energy: -401.449665 where: bonds (distance) C4'-P energy: -94.698 bonds (distance) P-C4' energy: -111.822 flat angles C4'-P-C4' energy: -91.758 flat angles P-C4'-P energy: -64.032 tors. eta vs tors. theta energy: -39.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -743.076194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.076194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.076194 (E_RNA) where: Base-Base interactions energy: -382.720 where: short stacking energy: -206.577 Base-Backbone interact. energy: -1.244 local terms energy: -359.111974 where: bonds (distance) C4'-P energy: -104.639 bonds (distance) P-C4' energy: -90.660 flat angles C4'-P-C4' energy: -100.605 flat angles P-C4'-P energy: -52.548 tors. eta vs tors. theta energy: -10.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -481.725485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.725485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.725485 (E_RNA) where: Base-Base interactions energy: -172.613 where: short stacking energy: -142.610 Base-Backbone interact. energy: -2.278 local terms energy: -306.834859 where: bonds (distance) C4'-P energy: -91.970 bonds (distance) P-C4' energy: -94.061 flat angles C4'-P-C4' energy: -83.539 flat angles P-C4'-P energy: -57.559 tors. eta vs tors. theta energy: 20.294 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: 1 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2185.049828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.049828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.049828 (E_RNA) where: Base-Base interactions energy: -1529.035 where: short stacking energy: -625.319 Base-Backbone interact. energy: 0.026 local terms energy: -656.041300 where: bonds (distance) C4'-P energy: -119.873 bonds (distance) P-C4' energy: -122.651 flat angles C4'-P-C4' energy: -143.166 flat angles P-C4'-P energy: -91.198 tors. eta vs tors. theta energy: -179.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2064.177585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.177585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.177585 (E_RNA) where: Base-Base interactions energy: -1418.480 where: short stacking energy: -610.214 Base-Backbone interact. energy: -0.400 local terms energy: -645.298019 where: bonds (distance) C4'-P energy: -92.441 bonds (distance) P-C4' energy: -120.909 flat angles C4'-P-C4' energy: -135.414 flat angles P-C4'-P energy: -95.578 tors. eta vs tors. theta energy: -200.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1977.076327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.076327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.076327 (E_RNA) where: Base-Base interactions energy: -1330.610 where: short stacking energy: -545.963 Base-Backbone interact. energy: -1.775 local terms energy: -644.690772 where: bonds (distance) C4'-P energy: -116.840 bonds (distance) P-C4' energy: -117.948 flat angles C4'-P-C4' energy: -135.526 flat angles P-C4'-P energy: -98.612 tors. eta vs tors. theta energy: -175.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1885.287729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.287729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.287729 (E_RNA) where: Base-Base interactions energy: -1309.388 where: short stacking energy: -520.233 Base-Backbone interact. energy: -2.661 local terms energy: -573.238902 where: bonds (distance) C4'-P energy: -105.644 bonds (distance) P-C4' energy: -108.830 flat angles C4'-P-C4' energy: -124.229 flat angles P-C4'-P energy: -77.756 tors. eta vs tors. theta energy: -156.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1772.702143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.702143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.702143 (E_RNA) where: Base-Base interactions energy: -1191.853 where: short stacking energy: -505.109 Base-Backbone interact. energy: -0.993 local terms energy: -579.855896 where: bonds (distance) C4'-P energy: -118.575 bonds (distance) P-C4' energy: -115.416 flat angles C4'-P-C4' energy: -110.360 flat angles P-C4'-P energy: -87.295 tors. eta vs tors. theta energy: -148.210 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: 2 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1658.887623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.887623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.887623 (E_RNA) where: Base-Base interactions energy: -1087.577 where: short stacking energy: -464.255 Base-Backbone interact. energy: -3.753 local terms energy: -567.557493 where: bonds (distance) C4'-P energy: -99.984 bonds (distance) P-C4' energy: -114.467 flat angles C4'-P-C4' energy: -118.191 flat angles P-C4'-P energy: -93.240 tors. eta vs tors. theta energy: -141.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1433.341549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.341549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.341549 (E_RNA) where: Base-Base interactions energy: -932.914 where: short stacking energy: -392.450 Base-Backbone interact. energy: -1.433 local terms energy: -498.994008 where: bonds (distance) C4'-P energy: -108.372 bonds (distance) P-C4' energy: -97.013 flat angles C4'-P-C4' energy: -123.466 flat angles P-C4'-P energy: -76.102 tors. eta vs tors. theta energy: -94.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1086.491929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.491929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.491929 (E_RNA) where: Base-Base interactions energy: -649.016 where: short stacking energy: -279.227 Base-Backbone interact. energy: 0.911 local terms energy: -438.387190 where: bonds (distance) C4'-P energy: -108.501 bonds (distance) P-C4' energy: -104.920 flat angles C4'-P-C4' energy: -94.970 flat angles P-C4'-P energy: -77.998 tors. eta vs tors. theta energy: -51.998 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: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -739.323807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.323807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.323807 (E_RNA) where: Base-Base interactions energy: -369.241 where: short stacking energy: -195.329 Base-Backbone interact. energy: -0.751 local terms energy: -369.330896 where: bonds (distance) C4'-P energy: -108.112 bonds (distance) P-C4' energy: -102.708 flat angles C4'-P-C4' energy: -84.562 flat angles P-C4'-P energy: -66.064 tors. eta vs tors. theta energy: -7.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -465.776866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.776866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.776866 (E_RNA) where: Base-Base interactions energy: -171.447 where: short stacking energy: -137.589 Base-Backbone interact. energy: 3.123 local terms energy: -297.453322 where: bonds (distance) C4'-P energy: -93.221 bonds (distance) P-C4' energy: -117.961 flat angles C4'-P-C4' energy: -74.553 flat angles P-C4'-P energy: -42.122 tors. eta vs tors. theta energy: 30.403 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: 1, replica: 1 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2170.180033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.180033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.180033 (E_RNA) where: Base-Base interactions energy: -1502.788 where: short stacking energy: -610.827 Base-Backbone interact. energy: -1.062 local terms energy: -666.330863 where: bonds (distance) C4'-P energy: -111.757 bonds (distance) P-C4' energy: -132.111 flat angles C4'-P-C4' energy: -141.186 flat angles P-C4'-P energy: -104.487 tors. eta vs tors. theta energy: -176.789 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: 4 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2058.974989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.974989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.974989 (E_RNA) where: Base-Base interactions energy: -1419.265 where: short stacking energy: -597.886 Base-Backbone interact. energy: 0.756 local terms energy: -640.466569 where: bonds (distance) C4'-P energy: -115.370 bonds (distance) P-C4' energy: -107.325 flat angles C4'-P-C4' energy: -138.494 flat angles P-C4'-P energy: -90.360 tors. eta vs tors. theta energy: -188.917 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: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2002.441713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.441713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.441713 (E_RNA) where: Base-Base interactions energy: -1376.826 where: short stacking energy: -579.550 Base-Backbone interact. energy: -1.989 local terms energy: -623.627050 where: bonds (distance) C4'-P energy: -104.287 bonds (distance) P-C4' energy: -111.992 flat angles C4'-P-C4' energy: -135.871 flat angles P-C4'-P energy: -89.962 tors. eta vs tors. theta energy: -181.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1931.063979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.063979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.063979 (E_RNA) where: Base-Base interactions energy: -1345.469 where: short stacking energy: -546.733 Base-Backbone interact. energy: -2.252 local terms energy: -583.343678 where: bonds (distance) C4'-P energy: -113.177 bonds (distance) P-C4' energy: -108.842 flat angles C4'-P-C4' energy: -127.678 flat angles P-C4'-P energy: -79.482 tors. eta vs tors. theta energy: -154.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1744.368457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.368457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.368457 (E_RNA) where: Base-Base interactions energy: -1180.465 where: short stacking energy: -509.287 Base-Backbone interact. energy: -5.655 local terms energy: -558.248814 where: bonds (distance) C4'-P energy: -105.942 bonds (distance) P-C4' energy: -107.704 flat angles C4'-P-C4' energy: -126.399 flat angles P-C4'-P energy: -75.979 tors. eta vs tors. theta energy: -142.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1582.473477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.473477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.473477 (E_RNA) where: Base-Base interactions energy: -1107.436 where: short stacking energy: -454.165 Base-Backbone interact. energy: 2.577 local terms energy: -477.613680 where: bonds (distance) C4'-P energy: -91.204 bonds (distance) P-C4' energy: -95.540 flat angles C4'-P-C4' energy: -113.151 flat angles P-C4'-P energy: -50.408 tors. eta vs tors. theta energy: -127.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1468.079351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.079351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.079351 (E_RNA) where: Base-Base interactions energy: -963.886 where: short stacking energy: -434.536 Base-Backbone interact. energy: -5.478 local terms energy: -498.715673 where: bonds (distance) C4'-P energy: -107.169 bonds (distance) P-C4' energy: -97.800 flat angles C4'-P-C4' energy: -119.111 flat angles P-C4'-P energy: -65.807 tors. eta vs tors. theta energy: -108.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1156.814629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.814629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.814629 (E_RNA) where: Base-Base interactions energy: -729.817 where: short stacking energy: -326.003 Base-Backbone interact. energy: 0.009 local terms energy: -427.007484 where: bonds (distance) C4'-P energy: -89.469 bonds (distance) P-C4' energy: -108.699 flat angles C4'-P-C4' energy: -108.114 flat angles P-C4'-P energy: -64.146 tors. eta vs tors. theta energy: -56.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -675.698547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.698547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.698547 (E_RNA) where: Base-Base interactions energy: -328.137 where: short stacking energy: -166.942 Base-Backbone interact. energy: -3.902 local terms energy: -343.659634 where: bonds (distance) C4'-P energy: -112.923 bonds (distance) P-C4' energy: -105.471 flat angles C4'-P-C4' energy: -92.769 flat angles P-C4'-P energy: -40.841 tors. eta vs tors. theta energy: 8.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -485.789980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.789980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.789980 (E_RNA) where: Base-Base interactions energy: -169.107 where: short stacking energy: -123.464 Base-Backbone interact. energy: 1.400 local terms energy: -318.082447 where: bonds (distance) C4'-P energy: -98.395 bonds (distance) P-C4' energy: -109.466 flat angles C4'-P-C4' energy: -89.658 flat angles P-C4'-P energy: -59.144 tors. eta vs tors. theta energy: 38.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2132.881503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.881503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.881503 (E_RNA) where: Base-Base interactions energy: -1452.535 where: short stacking energy: -620.006 Base-Backbone interact. energy: -3.855 local terms energy: -676.491535 where: bonds (distance) C4'-P energy: -132.640 bonds (distance) P-C4' energy: -127.298 flat angles C4'-P-C4' energy: -136.981 flat angles P-C4'-P energy: -96.550 tors. eta vs tors. theta energy: -183.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2073.498539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.498539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.498539 (E_RNA) where: Base-Base interactions energy: -1398.820 where: short stacking energy: -593.029 Base-Backbone interact. energy: -2.006 local terms energy: -672.673460 where: bonds (distance) C4'-P energy: -127.293 bonds (distance) P-C4' energy: -118.221 flat angles C4'-P-C4' energy: -136.407 flat angles P-C4'-P energy: -98.501 tors. eta vs tors. theta energy: -192.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1961.353676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.353676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.353676 (E_RNA) where: Base-Base interactions energy: -1341.133 where: short stacking energy: -560.788 Base-Backbone interact. energy: -1.521 local terms energy: -618.700075 where: bonds (distance) C4'-P energy: -106.499 bonds (distance) P-C4' energy: -99.320 flat angles C4'-P-C4' energy: -127.988 flat angles P-C4'-P energy: -100.596 tors. eta vs tors. theta energy: -184.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1924.343909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.343909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.343909 (E_RNA) where: Base-Base interactions energy: -1302.508 where: short stacking energy: -525.246 Base-Backbone interact. energy: -0.661 local terms energy: -621.174438 where: bonds (distance) C4'-P energy: -110.243 bonds (distance) P-C4' energy: -126.505 flat angles C4'-P-C4' energy: -137.546 flat angles P-C4'-P energy: -89.745 tors. eta vs tors. theta energy: -157.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1703.827909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.827909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.827909 (E_RNA) where: Base-Base interactions energy: -1139.671 where: short stacking energy: -496.388 Base-Backbone interact. energy: -2.749 local terms energy: -561.407744 where: bonds (distance) C4'-P energy: -108.966 bonds (distance) P-C4' energy: -95.601 flat angles C4'-P-C4' energy: -133.769 flat angles P-C4'-P energy: -77.946 tors. eta vs tors. theta energy: -145.125 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: 2 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1565.653522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.653522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.653522 (E_RNA) where: Base-Base interactions energy: -1033.107 where: short stacking energy: -452.224 Base-Backbone interact. energy: 0.158 local terms energy: -532.704394 where: bonds (distance) C4'-P energy: -118.835 bonds (distance) P-C4' energy: -95.509 flat angles C4'-P-C4' energy: -112.020 flat angles P-C4'-P energy: -81.471 tors. eta vs tors. theta energy: -124.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1399.912949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.912949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.912949 (E_RNA) where: Base-Base interactions energy: -908.913 where: short stacking energy: -377.245 Base-Backbone interact. energy: -1.511 local terms energy: -489.489343 where: bonds (distance) C4'-P energy: -93.109 bonds (distance) P-C4' energy: -115.272 flat angles C4'-P-C4' energy: -111.641 flat angles P-C4'-P energy: -69.616 tors. eta vs tors. theta energy: -99.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1118.472952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.472952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.472952 (E_RNA) where: Base-Base interactions energy: -693.361 where: short stacking energy: -309.864 Base-Backbone interact. energy: -2.592 local terms energy: -422.519899 where: bonds (distance) C4'-P energy: -98.531 bonds (distance) P-C4' energy: -95.901 flat angles C4'-P-C4' energy: -101.476 flat angles P-C4'-P energy: -66.043 tors. eta vs tors. theta energy: -60.569 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: 8 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -725.919442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.919442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.919442 (E_RNA) where: Base-Base interactions energy: -382.977 where: short stacking energy: -186.329 Base-Backbone interact. energy: 4.180 local terms energy: -347.122841 where: bonds (distance) C4'-P energy: -84.583 bonds (distance) P-C4' energy: -108.874 flat angles C4'-P-C4' energy: -91.248 flat angles P-C4'-P energy: -58.101 tors. eta vs tors. theta energy: -4.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -453.343499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.343499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.343499 (E_RNA) where: Base-Base interactions energy: -147.930 where: short stacking energy: -120.819 Base-Backbone interact. energy: 7.017 local terms energy: -312.430401 where: bonds (distance) C4'-P energy: -91.862 bonds (distance) P-C4' energy: -113.381 flat angles C4'-P-C4' energy: -66.296 flat angles P-C4'-P energy: -70.669 tors. eta vs tors. theta energy: 29.778 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: 1, replica: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2148.150500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.150500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.150500 (E_RNA) where: Base-Base interactions energy: -1466.088 where: short stacking energy: -613.562 Base-Backbone interact. energy: -4.677 local terms energy: -677.385279 where: bonds (distance) C4'-P energy: -113.868 bonds (distance) P-C4' energy: -138.319 flat angles C4'-P-C4' energy: -135.826 flat angles P-C4'-P energy: -103.148 tors. eta vs tors. theta energy: -186.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2051.152086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.152086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.152086 (E_RNA) where: Base-Base interactions energy: -1380.533 where: short stacking energy: -572.357 Base-Backbone interact. energy: -3.161 local terms energy: -667.457691 where: bonds (distance) C4'-P energy: -119.573 bonds (distance) P-C4' energy: -129.874 flat angles C4'-P-C4' energy: -138.210 flat angles P-C4'-P energy: -80.596 tors. eta vs tors. theta energy: -199.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1928.351769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.351769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.351769 (E_RNA) where: Base-Base interactions energy: -1321.272 where: short stacking energy: -497.439 Base-Backbone interact. energy: 1.371 local terms energy: -608.450650 where: bonds (distance) C4'-P energy: -115.739 bonds (distance) P-C4' energy: -129.514 flat angles C4'-P-C4' energy: -127.820 flat angles P-C4'-P energy: -81.806 tors. eta vs tors. theta energy: -153.572 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: 478 Temperature: 1.050000 Total energy: -1947.905129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.905129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.905129 (E_RNA) where: Base-Base interactions energy: -1365.849 where: short stacking energy: -549.279 Base-Backbone interact. energy: -2.249 local terms energy: -579.807440 where: bonds (distance) C4'-P energy: -96.697 bonds (distance) P-C4' energy: -109.584 flat angles C4'-P-C4' energy: -131.743 flat angles P-C4'-P energy: -78.800 tors. eta vs tors. theta energy: -162.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1683.741402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.741402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.741402 (E_RNA) where: Base-Base interactions energy: -1120.776 where: short stacking energy: -495.449 Base-Backbone interact. energy: -1.561 local terms energy: -561.404595 where: bonds (distance) C4'-P energy: -103.168 bonds (distance) P-C4' energy: -107.218 flat angles C4'-P-C4' energy: -119.897 flat angles P-C4'-P energy: -87.215 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: 6, replica: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1641.957686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.957686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.957686 (E_RNA) where: Base-Base interactions energy: -1081.384 where: short stacking energy: -469.880 Base-Backbone interact. energy: -1.344 local terms energy: -559.229033 where: bonds (distance) C4'-P energy: -113.328 bonds (distance) P-C4' energy: -114.169 flat angles C4'-P-C4' energy: -116.726 flat angles P-C4'-P energy: -77.165 tors. eta vs tors. theta energy: -137.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1427.463463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.463463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.463463 (E_RNA) where: Base-Base interactions energy: -924.902 where: short stacking energy: -398.851 Base-Backbone interact. energy: -4.495 local terms energy: -498.067230 where: bonds (distance) C4'-P energy: -107.279 bonds (distance) P-C4' energy: -108.340 flat angles C4'-P-C4' energy: -111.507 flat angles P-C4'-P energy: -58.450 tors. eta vs tors. theta energy: -112.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1052.417304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.417304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.417304 (E_RNA) where: Base-Base interactions energy: -638.985 where: short stacking energy: -293.846 Base-Backbone interact. energy: -0.456 local terms energy: -412.976594 where: bonds (distance) C4'-P energy: -103.384 bonds (distance) P-C4' energy: -96.649 flat angles C4'-P-C4' energy: -85.321 flat angles P-C4'-P energy: -67.652 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: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -702.968037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.968037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.968037 (E_RNA) where: Base-Base interactions energy: -349.068 where: short stacking energy: -207.094 Base-Backbone interact. energy: -1.424 local terms energy: -352.475856 where: bonds (distance) C4'-P energy: -87.002 bonds (distance) P-C4' energy: -91.812 flat angles C4'-P-C4' energy: -72.415 flat angles P-C4'-P energy: -71.884 tors. eta vs tors. theta energy: -29.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -461.625203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.625203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.625203 (E_RNA) where: Base-Base interactions energy: -159.313 where: short stacking energy: -123.570 Base-Backbone interact. energy: -0.367 local terms energy: -301.945106 where: bonds (distance) C4'-P energy: -112.579 bonds (distance) P-C4' energy: -99.526 flat angles C4'-P-C4' energy: -78.775 flat angles P-C4'-P energy: -49.422 tors. eta vs tors. theta energy: 38.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2126.898794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.898794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.898794 (E_RNA) where: Base-Base interactions energy: -1488.595 where: short stacking energy: -594.892 Base-Backbone interact. energy: -0.445 local terms energy: -637.858879 where: bonds (distance) C4'-P energy: -117.137 bonds (distance) P-C4' energy: -126.981 flat angles C4'-P-C4' energy: -134.824 flat angles P-C4'-P energy: -93.175 tors. eta vs tors. theta energy: -165.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2068.564967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.564967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.564967 (E_RNA) where: Base-Base interactions energy: -1402.949 where: short stacking energy: -609.831 Base-Backbone interact. energy: 0.484 local terms energy: -666.100000 where: bonds (distance) C4'-P energy: -115.959 bonds (distance) P-C4' energy: -120.282 flat angles C4'-P-C4' energy: -148.075 flat angles P-C4'-P energy: -97.664 tors. eta vs tors. theta energy: -184.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1954.991232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.991232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.991232 (E_RNA) where: Base-Base interactions energy: -1332.129 where: short stacking energy: -543.948 Base-Backbone interact. energy: -1.791 local terms energy: -621.070735 where: bonds (distance) C4'-P energy: -111.976 bonds (distance) P-C4' energy: -127.154 flat angles C4'-P-C4' energy: -130.285 flat angles P-C4'-P energy: -84.942 tors. eta vs tors. theta energy: -166.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1912.675625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.675625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.675625 (E_RNA) where: Base-Base interactions energy: -1347.595 where: short stacking energy: -523.992 Base-Backbone interact. energy: -1.917 local terms energy: -563.163264 where: bonds (distance) C4'-P energy: -101.906 bonds (distance) P-C4' energy: -109.837 flat angles C4'-P-C4' energy: -121.723 flat angles P-C4'-P energy: -78.367 tors. eta vs tors. theta energy: -151.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1691.432929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.432929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.432929 (E_RNA) where: Base-Base interactions energy: -1116.235 where: short stacking energy: -460.850 Base-Backbone interact. energy: -0.154 local terms energy: -575.044033 where: bonds (distance) C4'-P energy: -114.022 bonds (distance) P-C4' energy: -115.009 flat angles C4'-P-C4' energy: -126.800 flat angles P-C4'-P energy: -82.557 tors. eta vs tors. theta energy: -136.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1642.571618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.571618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.571618 (E_RNA) where: Base-Base interactions energy: -1089.046 where: short stacking energy: -474.001 Base-Backbone interact. energy: -0.529 local terms energy: -552.996328 where: bonds (distance) C4'-P energy: -100.672 bonds (distance) P-C4' energy: -128.640 flat angles C4'-P-C4' energy: -115.177 flat angles P-C4'-P energy: -67.379 tors. eta vs tors. theta energy: -141.129 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: 10 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1445.083796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.083796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.083796 (E_RNA) where: Base-Base interactions energy: -931.319 where: short stacking energy: -418.221 Base-Backbone interact. energy: -0.477 local terms energy: -513.288034 where: bonds (distance) C4'-P energy: -98.029 bonds (distance) P-C4' energy: -112.043 flat angles C4'-P-C4' energy: -102.737 flat angles P-C4'-P energy: -73.745 tors. eta vs tors. theta energy: -126.735 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: 8, replica: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1088.306668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.306668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.306668 (E_RNA) where: Base-Base interactions energy: -681.480 where: short stacking energy: -302.545 Base-Backbone interact. energy: 2.906 local terms energy: -409.732188 where: bonds (distance) C4'-P energy: -102.867 bonds (distance) P-C4' energy: -95.194 flat angles C4'-P-C4' energy: -90.133 flat angles P-C4'-P energy: -63.320 tors. eta vs tors. theta energy: -58.218 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: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -686.861061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.861061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.861061 (E_RNA) where: Base-Base interactions energy: -337.744 where: short stacking energy: -203.300 Base-Backbone interact. energy: 2.575 local terms energy: -351.692545 where: bonds (distance) C4'-P energy: -91.039 bonds (distance) P-C4' energy: -116.202 flat angles C4'-P-C4' energy: -82.514 flat angles P-C4'-P energy: -59.685 tors. eta vs tors. theta energy: -2.252 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: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -453.899918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.899918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.899918 (E_RNA) where: Base-Base interactions energy: -153.239 where: short stacking energy: -126.862 Base-Backbone interact. energy: 0.803 local terms energy: -301.464318 where: bonds (distance) C4'-P energy: -91.916 bonds (distance) P-C4' energy: -99.023 flat angles C4'-P-C4' energy: -71.240 flat angles P-C4'-P energy: -56.378 tors. eta vs tors. theta energy: 17.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2111.236578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.236578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.236578 (E_RNA) where: Base-Base interactions energy: -1443.773 where: short stacking energy: -583.327 Base-Backbone interact. energy: -3.017 local terms energy: -664.446312 where: bonds (distance) C4'-P energy: -124.873 bonds (distance) P-C4' energy: -130.416 flat angles C4'-P-C4' energy: -135.803 flat angles P-C4'-P energy: -103.195 tors. eta vs tors. theta energy: -170.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2106.350574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.350574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.350574 (E_RNA) where: Base-Base interactions energy: -1430.881 where: short stacking energy: -596.021 Base-Backbone interact. energy: -2.980 local terms energy: -672.489482 where: bonds (distance) C4'-P energy: -118.697 bonds (distance) P-C4' energy: -124.291 flat angles C4'-P-C4' energy: -141.150 flat angles P-C4'-P energy: -89.961 tors. eta vs tors. theta energy: -198.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2015.311727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.311727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.311727 (E_RNA) where: Base-Base interactions energy: -1403.020 where: short stacking energy: -535.306 Base-Backbone interact. energy: 1.678 local terms energy: -613.969680 where: bonds (distance) C4'-P energy: -107.731 bonds (distance) P-C4' energy: -118.275 flat angles C4'-P-C4' energy: -130.286 flat angles P-C4'-P energy: -95.745 tors. eta vs tors. theta energy: -161.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1882.114292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.114292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.114292 (E_RNA) where: Base-Base interactions energy: -1288.322 where: short stacking energy: -534.904 Base-Backbone interact. energy: -0.750 local terms energy: -593.042740 where: bonds (distance) C4'-P energy: -101.343 bonds (distance) P-C4' energy: -127.264 flat angles C4'-P-C4' energy: -123.391 flat angles P-C4'-P energy: -82.908 tors. eta vs tors. theta energy: -158.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1678.046543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.046543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.046543 (E_RNA) where: Base-Base interactions energy: -1121.851 where: short stacking energy: -488.748 Base-Backbone interact. energy: -0.524 local terms energy: -555.672178 where: bonds (distance) C4'-P energy: -111.329 bonds (distance) P-C4' energy: -111.856 flat angles C4'-P-C4' energy: -117.793 flat angles P-C4'-P energy: -68.131 tors. eta vs tors. theta energy: -146.563 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: 5 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1655.252347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.252347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.252347 (E_RNA) where: Base-Base interactions energy: -1137.092 where: short stacking energy: -487.021 Base-Backbone interact. energy: -1.977 local terms energy: -516.183734 where: bonds (distance) C4'-P energy: -95.912 bonds (distance) P-C4' energy: -87.782 flat angles C4'-P-C4' energy: -119.975 flat angles P-C4'-P energy: -85.864 tors. eta vs tors. theta energy: -126.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1423.362717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.362717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.362717 (E_RNA) where: Base-Base interactions energy: -947.736 where: short stacking energy: -402.237 Base-Backbone interact. energy: -1.483 local terms energy: -474.143434 where: bonds (distance) C4'-P energy: -99.546 bonds (distance) P-C4' energy: -109.314 flat angles C4'-P-C4' energy: -104.401 flat angles P-C4'-P energy: -65.473 tors. eta vs tors. theta energy: -95.408 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: 6 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1095.696872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.696872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.696872 (E_RNA) where: Base-Base interactions energy: -659.730 where: short stacking energy: -316.386 Base-Backbone interact. energy: 0.159 local terms energy: -436.125710 where: bonds (distance) C4'-P energy: -91.337 bonds (distance) P-C4' energy: -97.136 flat angles C4'-P-C4' energy: -114.942 flat angles P-C4'-P energy: -54.806 tors. eta vs tors. theta energy: -77.904 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: 8 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -691.893107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.893107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.893107 (E_RNA) where: Base-Base interactions energy: -350.579 where: short stacking energy: -180.972 Base-Backbone interact. energy: -2.987 local terms energy: -338.327371 where: bonds (distance) C4'-P energy: -94.129 bonds (distance) P-C4' energy: -99.584 flat angles C4'-P-C4' energy: -102.561 flat angles P-C4'-P energy: -57.888 tors. eta vs tors. theta energy: 15.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -451.064851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.064851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.064851 (E_RNA) where: Base-Base interactions energy: -131.545 where: short stacking energy: -95.816 Base-Backbone interact. energy: -0.501 local terms energy: -319.019485 where: bonds (distance) C4'-P energy: -97.151 bonds (distance) P-C4' energy: -102.061 flat angles C4'-P-C4' energy: -104.270 flat angles P-C4'-P energy: -60.484 tors. eta vs tors. theta energy: 44.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2134.640027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.640027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.640027 (E_RNA) where: Base-Base interactions energy: -1491.290 where: short stacking energy: -617.197 Base-Backbone interact. energy: -5.302 local terms energy: -638.048086 where: bonds (distance) C4'-P energy: -118.248 bonds (distance) P-C4' energy: -128.954 flat angles C4'-P-C4' energy: -120.624 flat angles P-C4'-P energy: -89.770 tors. eta vs tors. theta energy: -180.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2095.441490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.441490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.441490 (E_RNA) where: Base-Base interactions energy: -1443.449 where: short stacking energy: -589.020 Base-Backbone interact. energy: -0.427 local terms energy: -651.565582 where: bonds (distance) C4'-P energy: -119.822 bonds (distance) P-C4' energy: -119.217 flat angles C4'-P-C4' energy: -137.423 flat angles P-C4'-P energy: -78.464 tors. eta vs tors. theta energy: -196.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2005.738344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.738344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.738344 (E_RNA) where: Base-Base interactions energy: -1379.792 where: short stacking energy: -555.518 Base-Backbone interact. energy: -3.195 local terms energy: -622.751318 where: bonds (distance) C4'-P energy: -113.383 bonds (distance) P-C4' energy: -121.914 flat angles C4'-P-C4' energy: -130.604 flat angles P-C4'-P energy: -80.568 tors. eta vs tors. theta energy: -176.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1898.605478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.605478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.605478 (E_RNA) where: Base-Base interactions energy: -1287.995 where: short stacking energy: -551.081 Base-Backbone interact. energy: -3.565 local terms energy: -607.045488 where: bonds (distance) C4'-P energy: -107.540 bonds (distance) P-C4' energy: -115.048 flat angles C4'-P-C4' energy: -138.193 flat angles P-C4'-P energy: -86.297 tors. eta vs tors. theta energy: -159.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1686.199984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.199984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.199984 (E_RNA) where: Base-Base interactions energy: -1087.192 where: short stacking energy: -467.350 Base-Backbone interact. energy: -1.202 local terms energy: -597.806645 where: bonds (distance) C4'-P energy: -130.036 bonds (distance) P-C4' energy: -97.436 flat angles C4'-P-C4' energy: -133.976 flat angles P-C4'-P energy: -91.790 tors. eta vs tors. theta energy: -144.569 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: 5 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1645.938863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.938863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.938863 (E_RNA) where: Base-Base interactions energy: -1086.656 where: short stacking energy: -442.610 Base-Backbone interact. energy: -1.611 local terms energy: -557.671749 where: bonds (distance) C4'-P energy: -124.174 bonds (distance) P-C4' energy: -109.883 flat angles C4'-P-C4' energy: -109.081 flat angles P-C4'-P energy: -82.687 tors. eta vs tors. theta energy: -131.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1510.196833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.196833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.196833 (E_RNA) where: Base-Base interactions energy: -1016.046 where: short stacking energy: -432.232 Base-Backbone interact. energy: 7.580 local terms energy: -501.730353 where: bonds (distance) C4'-P energy: -109.814 bonds (distance) P-C4' energy: -103.110 flat angles C4'-P-C4' energy: -113.654 flat angles P-C4'-P energy: -66.723 tors. eta vs tors. theta energy: -108.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1024.206090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.206090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.206090 (E_RNA) where: Base-Base interactions energy: -618.481 where: short stacking energy: -269.232 Base-Backbone interact. energy: 0.305 local terms energy: -406.030259 where: bonds (distance) C4'-P energy: -96.567 bonds (distance) P-C4' energy: -113.457 flat angles C4'-P-C4' energy: -111.102 flat angles P-C4'-P energy: -57.874 tors. eta vs tors. theta energy: -27.031 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: 9, replica: 8 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -771.164111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.164111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.164111 (E_RNA) where: Base-Base interactions energy: -395.518 where: short stacking energy: -190.277 Base-Backbone interact. energy: -1.096 local terms energy: -374.550147 where: bonds (distance) C4'-P energy: -103.198 bonds (distance) P-C4' energy: -118.161 flat angles C4'-P-C4' energy: -93.994 flat angles P-C4'-P energy: -59.866 tors. eta vs tors. theta energy: 0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -492.134411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.134411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.134411 (E_RNA) where: Base-Base interactions energy: -166.435 where: short stacking energy: -153.411 Base-Backbone interact. energy: -0.725 local terms energy: -324.974585 where: bonds (distance) C4'-P energy: -91.635 bonds (distance) P-C4' energy: -115.787 flat angles C4'-P-C4' energy: -90.564 flat angles P-C4'-P energy: -46.018 tors. eta vs tors. theta energy: 19.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2146.009805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.009805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.009805 (E_RNA) where: Base-Base interactions energy: -1485.449 where: short stacking energy: -612.975 Base-Backbone interact. energy: -4.878 local terms energy: -655.682154 where: bonds (distance) C4'-P energy: -107.828 bonds (distance) P-C4' energy: -121.789 flat angles C4'-P-C4' energy: -142.685 flat angles P-C4'-P energy: -98.080 tors. eta vs tors. theta energy: -185.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2104.204672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.204672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.204672 (E_RNA) where: Base-Base interactions energy: -1455.145 where: short stacking energy: -617.935 Base-Backbone interact. energy: 2.001 local terms energy: -651.060542 where: bonds (distance) C4'-P energy: -108.563 bonds (distance) P-C4' energy: -113.713 flat angles C4'-P-C4' energy: -142.538 flat angles P-C4'-P energy: -88.542 tors. eta vs tors. theta energy: -197.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2007.299129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.299129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.299129 (E_RNA) where: Base-Base interactions energy: -1400.929 where: short stacking energy: -551.942 Base-Backbone interact. energy: -2.779 local terms energy: -603.591319 where: bonds (distance) C4'-P energy: -126.859 bonds (distance) P-C4' energy: -106.890 flat angles C4'-P-C4' energy: -129.213 flat angles P-C4'-P energy: -77.570 tors. eta vs tors. theta energy: -163.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1909.631640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.631640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.631640 (E_RNA) where: Base-Base interactions energy: -1294.411 where: short stacking energy: -518.574 Base-Backbone interact. energy: -1.129 local terms energy: -614.092019 where: bonds (distance) C4'-P energy: -115.525 bonds (distance) P-C4' energy: -114.465 flat angles C4'-P-C4' energy: -136.050 flat angles P-C4'-P energy: -81.683 tors. eta vs tors. theta energy: -166.369 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: 2 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1717.256930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.256930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.256930 (E_RNA) where: Base-Base interactions energy: -1142.498 where: short stacking energy: -486.076 Base-Backbone interact. energy: -1.388 local terms energy: -573.371524 where: bonds (distance) C4'-P energy: -112.490 bonds (distance) P-C4' energy: -105.725 flat angles C4'-P-C4' energy: -128.229 flat angles P-C4'-P energy: -66.748 tors. eta vs tors. theta energy: -160.180 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: 5 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1629.362760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.362760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.362760 (E_RNA) where: Base-Base interactions energy: -1090.203 where: short stacking energy: -462.718 Base-Backbone interact. energy: -2.071 local terms energy: -537.088632 where: bonds (distance) C4'-P energy: -97.450 bonds (distance) P-C4' energy: -112.183 flat angles C4'-P-C4' energy: -118.966 flat angles P-C4'-P energy: -79.043 tors. eta vs tors. theta energy: -129.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1446.241145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.241145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.241145 (E_RNA) where: Base-Base interactions energy: -947.002 where: short stacking energy: -398.030 Base-Backbone interact. energy: -1.444 local terms energy: -497.795609 where: bonds (distance) C4'-P energy: -93.179 bonds (distance) P-C4' energy: -121.379 flat angles C4'-P-C4' energy: -112.555 flat angles P-C4'-P energy: -74.724 tors. eta vs tors. theta energy: -95.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -982.672050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.672050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.672050 (E_RNA) where: Base-Base interactions energy: -554.960 where: short stacking energy: -274.114 Base-Backbone interact. energy: -4.303 local terms energy: -423.409074 where: bonds (distance) C4'-P energy: -95.980 bonds (distance) P-C4' energy: -117.045 flat angles C4'-P-C4' energy: -93.393 flat angles P-C4'-P energy: -70.523 tors. eta vs tors. theta energy: -46.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -741.074475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.074475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.074475 (E_RNA) where: Base-Base interactions energy: -396.164 where: short stacking energy: -222.294 Base-Backbone interact. energy: -2.804 local terms energy: -342.106649 where: bonds (distance) C4'-P energy: -96.869 bonds (distance) P-C4' energy: -108.712 flat angles C4'-P-C4' energy: -95.275 flat angles P-C4'-P energy: -38.184 tors. eta vs tors. theta energy: -3.066 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: 9 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -481.182329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.182329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.182329 (E_RNA) where: Base-Base interactions energy: -173.499 where: short stacking energy: -136.756 Base-Backbone interact. energy: -3.426 local terms energy: -304.257183 where: bonds (distance) C4'-P energy: -89.806 bonds (distance) P-C4' energy: -107.995 flat angles C4'-P-C4' energy: -79.785 flat angles P-C4'-P energy: -46.956 tors. eta vs tors. theta energy: 20.285 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: 1 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2143.633862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.633862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.633862 (E_RNA) where: Base-Base interactions energy: -1506.566 where: short stacking energy: -600.104 Base-Backbone interact. energy: -2.349 local terms energy: -634.718521 where: bonds (distance) C4'-P energy: -115.823 bonds (distance) P-C4' energy: -123.130 flat angles C4'-P-C4' energy: -129.857 flat angles P-C4'-P energy: -84.403 tors. eta vs tors. theta energy: -181.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2044.425465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.425465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.425465 (E_RNA) where: Base-Base interactions energy: -1394.614 where: short stacking energy: -550.456 Base-Backbone interact. energy: -1.511 local terms energy: -648.300509 where: bonds (distance) C4'-P energy: -121.249 bonds (distance) P-C4' energy: -107.376 flat angles C4'-P-C4' energy: -137.550 flat angles P-C4'-P energy: -108.382 tors. eta vs tors. theta energy: -173.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2064.732342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.732342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.732342 (E_RNA) where: Base-Base interactions energy: -1406.203 where: short stacking energy: -608.254 Base-Backbone interact. energy: -2.495 local terms energy: -656.033791 where: bonds (distance) C4'-P energy: -110.029 bonds (distance) P-C4' energy: -116.908 flat angles C4'-P-C4' energy: -139.621 flat angles P-C4'-P energy: -82.178 tors. eta vs tors. theta energy: -207.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1936.697393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.697393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.697393 (E_RNA) where: Base-Base interactions energy: -1330.204 where: short stacking energy: -543.502 Base-Backbone interact. energy: -2.796 local terms energy: -603.697734 where: bonds (distance) C4'-P energy: -95.132 bonds (distance) P-C4' energy: -113.309 flat angles C4'-P-C4' energy: -136.344 flat angles P-C4'-P energy: -86.048 tors. eta vs tors. theta energy: -172.863 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: 483 Temperature: 1.100000 Total energy: -1736.780630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.780630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.780630 (E_RNA) where: Base-Base interactions energy: -1165.955 where: short stacking energy: -485.807 Base-Backbone interact. energy: -1.371 local terms energy: -569.454332 where: bonds (distance) C4'-P energy: -111.925 bonds (distance) P-C4' energy: -128.945 flat angles C4'-P-C4' energy: -111.483 flat angles P-C4'-P energy: -69.393 tors. eta vs tors. theta energy: -147.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1611.416718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.416718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.416718 (E_RNA) where: Base-Base interactions energy: -1061.475 where: short stacking energy: -446.067 Base-Backbone interact. energy: -2.057 local terms energy: -547.885640 where: bonds (distance) C4'-P energy: -106.372 bonds (distance) P-C4' energy: -102.833 flat angles C4'-P-C4' energy: -130.153 flat angles P-C4'-P energy: -85.108 tors. eta vs tors. theta energy: -123.421 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: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1487.796457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.796457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.796457 (E_RNA) where: Base-Base interactions energy: -985.757 where: short stacking energy: -391.710 Base-Backbone interact. energy: -3.189 local terms energy: -498.850351 where: bonds (distance) C4'-P energy: -97.511 bonds (distance) P-C4' energy: -100.252 flat angles C4'-P-C4' energy: -121.269 flat angles P-C4'-P energy: -70.641 tors. eta vs tors. theta energy: -109.177 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: 6 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -929.505991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.505991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.505991 (E_RNA) where: Base-Base interactions energy: -544.090 where: short stacking energy: -266.037 Base-Backbone interact. energy: 0.197 local terms energy: -385.612836 where: bonds (distance) C4'-P energy: -96.724 bonds (distance) P-C4' energy: -110.955 flat angles C4'-P-C4' energy: -79.624 flat angles P-C4'-P energy: -59.325 tors. eta vs tors. theta energy: -38.985 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: 8 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -737.842304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.842304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.842304 (E_RNA) where: Base-Base interactions energy: -405.116 where: short stacking energy: -195.382 Base-Backbone interact. energy: -2.679 local terms energy: -330.046869 where: bonds (distance) C4'-P energy: -80.922 bonds (distance) P-C4' energy: -102.541 flat angles C4'-P-C4' energy: -98.705 flat angles P-C4'-P energy: -65.568 tors. eta vs tors. theta energy: 17.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -472.329395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.329395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.329395 (E_RNA) where: Base-Base interactions energy: -168.613 where: short stacking energy: -139.146 Base-Backbone interact. energy: 2.523 local terms energy: -306.239432 where: bonds (distance) C4'-P energy: -96.451 bonds (distance) P-C4' energy: -118.811 flat angles C4'-P-C4' energy: -55.096 flat angles P-C4'-P energy: -58.986 tors. eta vs tors. theta energy: 23.104 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) out arg RESULTS//1/test1-c6eeca96_01 DONE DONE DONE DONE DONE DONE DONE DONE